CID 557110

Methyl 3-methylidenecyclopentane-1-carboxylate

Structural Information

Molecular Formula
C8H12O2
SMILES
COC(=O)C1CCC(=C)C1
InChI
InChI=1S/C8H12O2/c1-6-3-4-7(5-6)8(9)10-2/h7H,1,3-5H2,2H3
InChIKey
BBAQTZBEINBWBB-UHFFFAOYSA-N
Compound name
methyl 3-methylidenecyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.5
[M+Na]+ 163.07294 136.5
[M-H]- 139.07644 133.0
[M+NH4]+ 158.11754 153.0
[M+K]+ 179.04688 135.8
[M+H-H2O]+ 123.08098 124.8
[M+HCOO]- 185.08192 152.0
[M+CH3COO]- 199.09757 172.7
[M+Na-2H]- 161.05839 132.2
[M]+ 140.08317 128.0
[M]- 140.08427 128.0
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

No patent data available for this compound.