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

46
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

literature stripe

Patent stripe

patents stripe