CID 63395698

1-benzoyl-3-(chloromethyl)pyrrolidine

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CN(CC1CCl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14ClNO/c13-8-10-6-7-14(9-10)12(15)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey
KLDUWLRSVLERAY-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)pyrrolidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 149.0
[M+Na]+ 246.06561 161.7
[M+NH4]+ 241.11021 158.0
[M+K]+ 262.03955 155.9
[M-H]- 222.06911 152.1
[M+Na-2H]- 244.05106 156.0
[M]+ 223.07584 151.8
[M]- 223.07694 151.8
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.