CID 54592473

1181747-39-6

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CC1=CC=C(C=C1)CN(C2CC2)C(=O)CCl
InChI
InChI=1S/C13H16ClNO/c1-10-2-4-11(5-3-10)9-15(12-6-7-12)13(16)8-14/h2-5,12H,6-9H2,1H3
InChIKey
CZDWRMXBXLRKSL-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09204 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.099316 149.2
[M+Na]+ 260.081258 157.6
[M-H]- 236.084764 157.5
[M+NH4]+ 255.125863 163.4
[M+K]+ 276.055198 153.7
[M+H-H2O]+ 220.089300 142.6
[M+HCOO]- 282.090241 169.5
[M+CH3COO]- 296.105891 199.0
[M+Na-2H]- 258.066706 153.1
[M]+ 237.09149142 154.5
[M]- 237.09258858 154.5
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.