CID 12679914

3-methyl-2-methylidenebutanoyl chloride

Structural Information

Molecular Formula
C6H9ClO
SMILES
CC(C)C(=C)C(=O)Cl
InChI
InChI=1S/C6H9ClO/c1-4(2)5(3)6(7)8/h4H,3H2,1-2H3
InChIKey
LLIIFMUNEXVLGA-UHFFFAOYSA-N
Compound name
3-methyl-2-methylidenebutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

132.0342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.041476 123.7
[M+Na]+ 155.023418 131.7
[M-H]- 131.026924 124.3
[M+NH4]+ 150.068023 146.5
[M+K]+ 170.997358 129.9
[M+H-H2O]+ 115.031460 120.8
[M+HCOO]- 177.032401 140.8
[M+CH3COO]- 191.048051 173.8
[M+Na-2H]- 153.008866 126.9
[M]+ 132.03365142 125.0
[M]- 132.03474858 125.0
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

patents stripe