CID 23024225

4,4-dimethylcyclohex-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1(CCC(=CC1)C(=O)O)C
InChI
InChI=1S/C9H14O2/c1-9(2)5-3-7(4-6-9)8(10)11/h3H,4-6H2,1-2H3,(H,10,11)
InChIKey
OXCYCTSYDXQETH-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 132.3
[M+Na]+ 177.08860 139.1
[M-H]- 153.09210 134.6
[M+NH4]+ 172.13320 154.8
[M+K]+ 193.06254 138.0
[M+H-H2O]+ 137.09664 128.2
[M+HCOO]- 199.09758 152.1
[M+CH3COO]- 213.11323 174.1
[M+Na-2H]- 175.07405 137.4
[M]+ 154.09883 129.7
[M]- 154.09993 129.7
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