CID 130826292

Rac-[(3r,4r)-4-(1-methyl-1h-imidazol-5-yl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C9H15N3O
SMILES
CN1C=NC=C1[C@@H]2CNC[C@H]2CO
InChI
InChI=1S/C9H15N3O/c1-12-6-11-4-9(12)8-3-10-2-7(8)5-13/h4,6-8,10,13H,2-3,5H2,1H3/t7-,8+/m0/s1
InChIKey
QXNSDFXNTPPPMD-JGVFFNPUSA-N
Compound name
[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.128776 141.3
[M+Na]+ 204.110718 148.7
[M-H]- 180.114224 141.5
[M+NH4]+ 199.155323 159.4
[M+K]+ 220.084658 145.7
[M+H-H2O]+ 164.118760 133.5
[M+HCOO]- 226.119701 159.2
[M+CH3COO]- 240.135351 175.4
[M+Na-2H]- 202.096166 142.1
[M]+ 181.12095142 137.3
[M]- 181.12204858 137.3
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.