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]+ 155.106656 132.3
[M+Na]+ 177.088598 139.1
[M-H]- 153.092104 134.6
[M+NH4]+ 172.133203 154.8
[M+K]+ 193.062538 138.0
[M+H-H2O]+ 137.096640 128.2
[M+HCOO]- 199.097581 152.1
[M+CH3COO]- 213.113231 174.1
[M+Na-2H]- 175.074046 137.4
[M]+ 154.09883142 129.7
[M]- 154.09992858 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