CID 18614396

400770-57-2

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1(CCC(=C)C1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-6-3-4-8(2,5-6)7(9)10/h1,3-5H2,2H3,(H,9,10)
InChIKey
RABGNNHDAZOUDC-UHFFFAOYSA-N
Compound name
1-methyl-3-methylidenecyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 129.0
[M+Na]+ 163.07294 136.4
[M-H]- 139.07644 131.4
[M+NH4]+ 158.11754 153.7
[M+K]+ 179.04688 134.9
[M+H-H2O]+ 123.08098 125.6
[M+HCOO]- 185.08192 150.0
[M+CH3COO]- 199.09757 170.2
[M+Na-2H]- 161.05839 132.4
[M]+ 140.08317 126.0
[M]- 140.08427 126.0
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