CID 53872

77966-30-4

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CNCC=C
InChI
InChI=1S/C12H15ClN2O/c1-3-7-14-8-11(16)15-12-9(2)5-4-6-10(12)13/h3-6,14H,1,7-8H2,2H3,(H,15,16)
InChIKey
LVVAGBXKTGFQQG-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-(prop-2-enylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.094576 154.0
[M+Na]+ 261.076518 161.4
[M-H]- 237.080024 157.6
[M+NH4]+ 256.121123 172.3
[M+K]+ 277.050458 156.5
[M+H-H2O]+ 221.084560 148.4
[M+HCOO]- 283.085501 174.7
[M+CH3COO]- 297.101151 196.7
[M+Na-2H]- 259.061966 157.9
[M]+ 238.08675142 155.6
[M]- 238.08784858 155.6
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.