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]+ 190.09932 144.0
[M+Na]+ 212.08126 151.0
[M-H]- 188.08476 144.2
[M+NH4]+ 207.12586 164.7
[M+K]+ 228.05520 147.8
[M+H-H2O]+ 172.08930 140.4
[M+HCOO]- 234.09024 161.5
[M+CH3COO]- 248.10589 184.1
[M+Na-2H]- 210.06671 148.6
[M]+ 189.09149 146.1
[M]- 189.09259 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.