CID 9589047

Brn 4252849

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]+ 253.11022 158.7
[M+Na]+ 275.09216 165.5
[M-H]- 251.09566 163.7
[M+NH4]+ 270.13676 177.1
[M+K]+ 291.06610 162.2
[M+H-H2O]+ 235.10020 153.1
[M+HCOO]- 297.10114 178.1
[M+CH3COO]- 311.11679 200.9
[M+Na-2H]- 273.07761 162.8
[M]+ 252.10239 161.0
[M]- 252.10349 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.