CID 12856946

Methyl cyclopent-2-ene-1-carboxylate

Structural Information

Molecular Formula
C7H10O2
SMILES
COC(=O)C1CCC=C1
InChI
InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3
InChIKey
OXCAIEJHPQKJQV-UHFFFAOYSA-N
Compound name
methyl cyclopent-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.1
[M+Na]+ 149.05730 132.3
[M-H]- 125.06080 128.7
[M+NH4]+ 144.10190 149.0
[M+K]+ 165.03124 132.3
[M+H-H2O]+ 109.06534 120.2
[M+HCOO]- 171.06628 149.3
[M+CH3COO]- 185.08193 169.1
[M+Na-2H]- 147.04275 129.9
[M]+ 126.06753 125.0
[M]- 126.06863 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