CID 12317400

4-methylpent-3-enoyl chloride

Structural Information

Molecular Formula
C6H9ClO
SMILES
CC(=CCC(=O)Cl)C
InChI
InChI=1S/C6H9ClO/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3
InChIKey
ZSXUJRKUULLRGG-UHFFFAOYSA-N
Compound name
4-methylpent-3-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

132.0342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.041476 124.4
[M+Na]+ 155.023418 132.7
[M-H]- 131.026924 124.9
[M+NH4]+ 150.068023 147.3
[M+K]+ 170.997358 130.4
[M+H-H2O]+ 115.031460 121.4
[M+HCOO]- 177.032401 142.4
[M+CH3COO]- 191.048051 172.3
[M+Na-2H]- 153.008866 128.8
[M]+ 132.03365142 126.2
[M]- 132.03474858 126.2
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

patents stripe