CID 9589066

Brn 4252911

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 154.5
[M+Na]+ 261.07652 161.0
[M-H]- 237.08002 159.3
[M+NH4]+ 256.12112 173.1
[M+K]+ 277.05046 157.9
[M+H-H2O]+ 221.08456 148.6
[M+HCOO]- 283.08550 174.7
[M+CH3COO]- 297.10115 199.2
[M+Na-2H]- 259.06197 157.1
[M]+ 238.08675 156.4
[M]- 238.08785 156.4
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.