CID 481765

5-amino-3-[[(1s,2r)-2-(hydroxymethyl)cyclopropyl]methyl]-6,7a-dihydro-3ah-triazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C9H14N6O2
SMILES
C1[C@@H]([C@@H]1CO)CN2C3C(C(=O)NC(=N3)N)N=N2
InChI
InChI=1S/C9H14N6O2/c10-9-11-7-6(8(17)12-9)13-14-15(7)2-4-1-5(4)3-16/h4-7,16H,1-3H2,(H3,10,11,12,17)/t4-,5+,6?,7?/m1/s1
InChIKey
JWIVRQSKKDZKGP-OZRTXJSJSA-N
Compound name
5-amino-3-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]-6,7a-dihydro-3aH-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.11783 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12511 168.6
[M+Na]+ 261.10705 179.6
[M-H]- 237.11055 167.7
[M+NH4]+ 256.15165 176.2
[M+K]+ 277.08099 171.7
[M+H-H2O]+ 221.11509 160.0
[M+HCOO]- 283.11603 182.6
[M+CH3COO]- 297.13168 177.3
[M+Na-2H]- 259.09250 169.6
[M]+ 238.11728 167.3
[M]- 238.11838 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.