CID 68111029

1-methyl-4-(propan-2-yl)cyclohex-3-ene-1-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(C)C1=CCC(CC1)(C)C(=O)O
InChI
InChI=1S/C11H18O2/c1-8(2)9-4-6-11(3,7-5-9)10(12)13/h4,8H,5-7H2,1-3H3,(H,12,13)
InChIKey
JGPAXIYWGDNBCI-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylcyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 141.3
[M+Na]+ 205.11990 147.1
[M-H]- 181.12340 143.4
[M+NH4]+ 200.16450 162.6
[M+K]+ 221.09384 145.9
[M+H-H2O]+ 165.12794 137.1
[M+HCOO]- 227.12888 159.5
[M+CH3COO]- 241.14453 181.0
[M+Na-2H]- 203.10535 144.1
[M]+ 182.13013 138.9
[M]- 182.13123 138.9
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