CID 81429217

1562358-53-5

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CC(C)(C)C(=O)NC/C=C/CCl
InChI
InChI=1S/C9H16ClNO/c1-9(2,3)8(12)11-7-5-4-6-10/h4-5H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKey
FWBJTFIKFJVVDS-SNAWJCMRSA-N
Compound name
N-[(E)-4-chlorobut-2-enyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09204 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.099316 144.0
[M+Na]+ 212.081258 151.0
[M-H]- 188.084764 144.2
[M+NH4]+ 207.125863 164.7
[M+K]+ 228.055198 147.8
[M+H-H2O]+ 172.089300 140.4
[M+HCOO]- 234.090241 161.5
[M+CH3COO]- 248.105891 184.1
[M+Na-2H]- 210.066706 148.6
[M]+ 189.09149142 146.1
[M]- 189.09258858 146.1
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.