CID 399560

Nsc710434

Structural Information

Molecular Formula
C12H18N6O
SMILES
CC1([C@H](C[C@H]1N2C3=NC=NC(=C3N=N2)N)CCO)C
InChI
InChI=1S/C12H18N6O/c1-12(2)7(3-4-19)5-8(12)18-11-9(16-17-18)10(13)14-6-15-11/h6-8,19H,3-5H2,1-2H3,(H2,13,14,15)/t7-,8+/m0/s1
InChIKey
DSEZDFHHHFLYFN-JGVFFNPUSA-N
Compound name
2-[(1R,3R)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.1542 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16148 165.3
[M+Na]+ 285.14342 175.0
[M-H]- 261.14692 165.6
[M+NH4]+ 280.18802 173.2
[M+K]+ 301.11736 173.2
[M+H-H2O]+ 245.15146 151.1
[M+HCOO]- 307.15240 181.4
[M+CH3COO]- 321.16805 200.7
[M+Na-2H]- 283.12887 169.1
[M]+ 262.15365 175.1
[M]- 262.15475 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.