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 157.5
[M+Na]+ 275.09216 168.7
[M+NH4]+ 270.13676 165.8
[M+K]+ 291.06610 163.1
[M-H]- 251.09566 160.8
[M+Na-2H]- 273.07761 163.9
[M]+ 252.10239 160.1
[M]- 252.10349 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.