CID 135538747

2',3'-methanoddg

Structural Information

Molecular Formula
C11H13N5O3
SMILES
C1C2C1[C@@H](O[C@@H]2CO)N3C=NC4=C3N=C(NC4=O)N
InChI
InChI=1S/C11H13N5O3/c12-11-14-8-7(9(18)15-11)13-3-16(8)10-5-1-4(5)6(2-17)19-10/h3-6,10,17H,1-2H2,(H3,12,14,15,18)/t4?,5?,6-,10-/m1/s1
InChIKey
KRBRBMTZASUNRX-FGSBLQTESA-N
Compound name
2-amino-9-[(2R,4S)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.10184 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 164.7
[M+Na]+ 286.09106 178.6
[M-H]- 262.09456 168.0
[M+NH4]+ 281.13566 174.5
[M+K]+ 302.06500 171.5
[M+H-H2O]+ 246.09910 158.0
[M+HCOO]- 308.10004 181.5
[M+CH3COO]- 322.11569 175.7
[M+Na-2H]- 284.07651 167.0
[M]+ 263.10129 168.6
[M]- 263.10239 168.6
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.