CID 66059435

(3-benzylpyrrolidin-3-yl)methanol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CNCC1(CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H17NO/c14-10-12(6-7-13-9-12)8-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKey
ZDDYYFFDCHUYMD-UHFFFAOYSA-N
Compound name
(3-benzylpyrrolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 144.5
[M+Na]+ 214.120228 150.0
[M-H]- 190.123734 146.6
[M+NH4]+ 209.164833 164.6
[M+K]+ 230.094168 145.9
[M+H-H2O]+ 174.128270 137.9
[M+HCOO]- 236.129211 163.4
[M+CH3COO]- 250.144861 175.6
[M+Na-2H]- 212.105676 149.1
[M]+ 191.13046142 139.3
[M]- 191.13155858 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

No patent data available for this compound.