CID 15947949

Methyl 4-chloro-2-methylbut-2-enoate

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C/C(=C\CCl)/C(=O)OC
InChI
InChI=1S/C6H9ClO2/c1-5(3-4-7)6(8)9-2/h3H,4H2,1-2H3/b5-3+
InChIKey
LTZAWBBRKABPAL-HWKANZROSA-N
Compound name
methyl (E)-4-chloro-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.02911 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 127.4
[M+Na]+ 171.018328 135.8
[M-H]- 147.021834 128.0
[M+NH4]+ 166.062933 149.8
[M+K]+ 186.992268 134.0
[M+H-H2O]+ 131.026370 124.3
[M+HCOO]- 193.027311 145.8
[M+CH3COO]- 207.042961 173.5
[M+Na-2H]- 169.003776 131.8
[M]+ 148.02856142 130.6
[M]- 148.02965858 130.6
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.