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]+ 182.12878 141.3
[M+Na]+ 204.11072 148.7
[M-H]- 180.11422 141.5
[M+NH4]+ 199.15532 159.4
[M+K]+ 220.08466 145.7
[M+H-H2O]+ 164.11876 133.5
[M+HCOO]- 226.11970 159.2
[M+CH3COO]- 240.13535 175.4
[M+Na-2H]- 202.09617 142.1
[M]+ 181.12095 137.3
[M]- 181.12205 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.