CID 9589045

Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (e)-

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC(C)(C)C(=O)N/N=C/C1=CC=CC=C1Cl
InChI
InChI=1S/C12H15ClN2O/c1-12(2,3)11(16)15-14-8-9-6-4-5-7-10(9)13/h4-8H,1-3H3,(H,15,16)/b14-8+
InChIKey
QAMPDZDJTCMJKM-RIYZIHGNSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.094576 154.4
[M+Na]+ 261.076518 161.9
[M-H]- 237.080024 159.5
[M+NH4]+ 256.121123 173.4
[M+K]+ 277.050458 158.3
[M+H-H2O]+ 221.084560 148.9
[M+HCOO]- 283.085501 175.1
[M+CH3COO]- 297.101151 197.1
[M+Na-2H]- 259.061966 160.2
[M]+ 238.08675142 156.9
[M]- 238.08784858 156.9
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

No patent data available for this compound.