CID 19960230

(2-phenylpyrrolidin-2-yl)methanol

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CC(NC1)(CO)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c13-9-11(7-4-8-12-11)10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKey
CKMDMLWSEWIBLU-UHFFFAOYSA-N
Compound name
(2-phenylpyrrolidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

177.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 140.0
[M+Na]+ 200.10459 145.9
[M-H]- 176.10809 142.3
[M+NH4]+ 195.14919 160.7
[M+K]+ 216.07853 142.2
[M+H-H2O]+ 160.11263 133.7
[M+HCOO]- 222.11357 159.3
[M+CH3COO]- 236.12922 151.9
[M+Na-2H]- 198.09004 145.2
[M]+ 177.11482 134.5
[M]- 177.11592 134.5
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