CID 5274080

[(1r,3s)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)cyclopentyl]methanol

Structural Information

Molecular Formula
C12H16N4O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=NC3=C2C=CN=C3N
InChI
InChI=1S/C12H16N4O/c13-12-11-10(3-4-14-12)16(7-15-11)9-2-1-8(5-9)6-17/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14)/t8-,9+/m1/s1
InChIKey
SAFFVCDPALHIFP-BDAKNGLRSA-N
Compound name
[(1R,3S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.13242 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.139696 150.7
[M+Na]+ 255.121638 159.8
[M-H]- 231.125144 153.6
[M+NH4]+ 250.166243 168.3
[M+K]+ 271.095578 155.4
[M+H-H2O]+ 215.129680 142.5
[M+HCOO]- 277.130621 171.0
[M+CH3COO]- 291.146271 162.7
[M+Na-2H]- 253.107086 153.3
[M]+ 232.13187142 149.0
[M]- 232.13296858 149.0
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.