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]+ 238.09932 149.2
[M+Na]+ 260.08126 157.6
[M-H]- 236.08476 157.5
[M+NH4]+ 255.12586 163.4
[M+K]+ 276.05520 153.7
[M+H-H2O]+ 220.08930 142.6
[M+HCOO]- 282.09024 169.5
[M+CH3COO]- 296.10589 199.0
[M+Na-2H]- 258.06671 153.1
[M]+ 237.09149 154.5
[M]- 237.09259 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.