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

14
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.0
[M+Na]+ 163.072938 136.4
[M-H]- 139.076444 131.4
[M+NH4]+ 158.117543 153.7
[M+K]+ 179.046878 134.9
[M+H-H2O]+ 123.080980 125.6
[M+HCOO]- 185.081921 150.0
[M+CH3COO]- 199.097571 170.2
[M+Na-2H]- 161.058386 132.4
[M]+ 140.08317142 126.0
[M]- 140.08426858 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