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

26
Patents

177.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 140.0
[M+Na]+ 200.104588 145.9
[M-H]- 176.108094 142.3
[M+NH4]+ 195.149193 160.7
[M+K]+ 216.078528 142.2
[M+H-H2O]+ 160.112630 133.7
[M+HCOO]- 222.113571 159.3
[M+CH3COO]- 236.129221 151.9
[M+Na-2H]- 198.090036 145.2
[M]+ 177.11482142 134.5
[M]- 177.11591858 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