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]+ 149.03639 127.4
[M+Na]+ 171.01833 135.8
[M-H]- 147.02183 128.0
[M+NH4]+ 166.06293 149.8
[M+K]+ 186.99227 134.0
[M+H-H2O]+ 131.02637 124.3
[M+HCOO]- 193.02731 145.8
[M+CH3COO]- 207.04296 173.5
[M+Na-2H]- 169.00378 131.8
[M]+ 148.02856 130.6
[M]- 148.02966 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.