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]+ 141.090996 128.4
[M+Na]+ 163.072938 136.6
[M-H]- 139.076444 131.1
[M+NH4]+ 158.117543 151.5
[M+K]+ 179.046878 135.3
[M+H-H2O]+ 123.080980 124.2
[M+HCOO]- 185.081921 150.7
[M+CH3COO]- 199.097571 172.4
[M+Na-2H]- 161.058386 130.9
[M]+ 140.08317142 127.6
[M]- 140.08426858 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.