CID 75525801

(2-benzylpyrrolidin-2-yl)methanol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC(NC1)(CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H17NO/c14-10-12(7-4-8-13-12)9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2
InChIKey
IOAYGUOBWFMGLB-UHFFFAOYSA-N
Compound name
(2-benzylpyrrolidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.5
[M+Na]+ 214.12023 150.0
[M-H]- 190.12373 146.6
[M+NH4]+ 209.16483 164.6
[M+K]+ 230.09417 145.9
[M+H-H2O]+ 174.12827 137.9
[M+HCOO]- 236.12921 163.4
[M+CH3COO]- 250.14486 175.6
[M+Na-2H]- 212.10568 149.1
[M]+ 191.13046 139.3
[M]- 191.13156 139.3
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

patents stripe