CID 16226862

1-[4-(chloromethyl)benzoyl]pyrrolidine

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CCN(C1)C(=O)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C12H14ClNO/c13-9-10-3-5-11(6-4-10)12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKey
YXCGADPMMJPRTQ-UHFFFAOYSA-N
Compound name
[4-(chloromethyl)phenyl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

223.07639 Da
Monoisotopic Mass

2.3
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

patents stripe