CID 3039525

Brn 2448259

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(C)CC1CCC(=CC1)C(C)(C)C(=O)O
InChI
InChI=1S/C14H24O2/c1-10(2)9-11-5-7-12(8-6-11)14(3,4)13(15)16/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKey
LGUBLUSZVIGEIQ-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(2-methylpropyl)cyclohexen-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 154.5
[M+Na]+ 247.16685 158.5
[M-H]- 223.17035 155.9
[M+NH4]+ 242.21145 172.2
[M+K]+ 263.14079 156.8
[M+H-H2O]+ 207.17489 149.4
[M+HCOO]- 269.17583 170.2
[M+CH3COO]- 283.19148 190.9
[M+Na-2H]- 245.15230 155.4
[M]+ 224.17708 152.4
[M]- 224.17818 152.4
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