CID 9589047

Propanoic acid, 2,2-dimethyl-, (1-(2-chlorophenyl)ethylidene)hydrazide, (e)-

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C/C(=N\NC(=O)C(C)(C)C)/C1=CC=CC=C1Cl
InChI
InChI=1S/C13H17ClN2O/c1-9(10-7-5-6-8-11(10)14)15-16-12(17)13(2,3)4/h5-8H,1-4H3,(H,16,17)/b15-9+
InChIKey
KNRPPCUHKNZUID-OQLLNIDSSA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.110216 158.7
[M+Na]+ 275.092158 165.5
[M-H]- 251.095664 163.7
[M+NH4]+ 270.136763 177.1
[M+K]+ 291.066098 162.2
[M+H-H2O]+ 235.100200 153.1
[M+HCOO]- 297.101141 178.1
[M+CH3COO]- 311.116791 200.9
[M+Na-2H]- 273.077606 162.8
[M]+ 252.10239142 161.0
[M]- 252.10348858 161.0
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.