CID 16226925

N-(1-benzylpyrrolidin-3-yl)-2-chloroacetamide hydrochloride

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C1CN(CC1NC(=O)CCl)CC2=CC=CC=C2
InChI
InChI=1S/C13H17ClN2O/c14-8-13(17)15-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChIKey
HPBWRCHTSALJTF-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 158.7
[M+Na]+ 275.09216 164.4
[M-H]- 251.09566 163.1
[M+NH4]+ 270.13676 176.3
[M+K]+ 291.06610 159.6
[M+H-H2O]+ 235.10020 151.1
[M+HCOO]- 297.10114 175.7
[M+CH3COO]- 311.11679 193.3
[M+Na-2H]- 273.07761 160.5
[M]+ 252.10239 157.5
[M]- 252.10349 157.5
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

No patent data available for this compound.