CID 55299345

768-38-7

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1=C(CC(C1)C(=O)O)C
InChI
InChI=1S/C8H12O2/c1-5-3-7(8(9)10)4-6(5)2/h7H,3-4H2,1-2H3,(H,9,10)
InChIKey
ULFSQDJQQLJTSF-UHFFFAOYSA-N
Compound name
3,4-dimethylcyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.4
[M+Na]+ 163.07294 136.6
[M-H]- 139.07644 131.1
[M+NH4]+ 158.11754 151.5
[M+K]+ 179.04688 135.3
[M+H-H2O]+ 123.08098 124.2
[M+HCOO]- 185.08192 150.7
[M+CH3COO]- 199.09757 172.4
[M+Na-2H]- 161.05839 130.9
[M]+ 140.08317 127.6
[M]- 140.08427 127.6
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

No patent data available for this compound.