CID 513212

[(1s,3r)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol

Structural Information

Molecular Formula
C12H16N4O
SMILES
C1C[C@H](C[C@H]1CO)N2C=CC3=C(N=CN=C32)N
InChI
InChI=1S/C12H16N4O/c13-11-10-3-4-16(12(10)15-7-14-11)9-2-1-8(5-9)6-17/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14,15)/t8-,9+/m0/s1
InChIKey
XVEJYMVNCBBYQY-DTWKUNHWSA-N
Compound name
[(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 150.7
[M+Na]+ 255.12164 159.8
[M-H]- 231.12514 153.6
[M+NH4]+ 250.16624 168.3
[M+K]+ 271.09558 155.4
[M+H-H2O]+ 215.12968 142.5
[M+HCOO]- 277.13062 171.0
[M+CH3COO]- 291.14627 162.7
[M+Na-2H]- 253.10709 153.3
[M]+ 232.13187 149.0
[M]- 232.13297 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.