CID 11095393

1-phenyl-2-(pyrrolidin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCN(C1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
RGYPPSMWECQPTB-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 142.9
[M+Na]+ 212.104588 148.2
[M-H]- 188.108094 147.4
[M+NH4]+ 207.149193 162.3
[M+K]+ 228.078528 145.7
[M+H-H2O]+ 172.112630 135.3
[M+HCOO]- 234.113571 163.9
[M+CH3COO]- 248.129221 181.3
[M+Na-2H]- 210.090036 146.2
[M]+ 189.11482142 139.7
[M]- 189.11591858 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe