CID 59391

102489-60-1

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CN2CCCC2
InChI
InChI=1S/C13H17ClN2O/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,15,17)
InChIKey
DNINAKPWAHIOAZ-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.10294 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 158.6
[M+Na]+ 275.09216 165.3
[M-H]- 251.09566 163.5
[M+NH4]+ 270.13676 176.7
[M+K]+ 291.06610 160.5
[M+H-H2O]+ 235.10020 151.4
[M+HCOO]- 297.10114 175.7
[M+CH3COO]- 311.11679 194.4
[M+Na-2H]- 273.07761 159.8
[M]+ 252.10239 157.9
[M]- 252.10349 157.9
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