CID 58172

Brn 2649835

Structural Information

Molecular Formula
C14H18O3
SMILES
CC1=C(C(=C(C=C1CC=C)C(C)C)O)C(=O)O
InChI
InChI=1S/C14H18O3/c1-5-6-10-7-11(8(2)3)13(15)12(9(10)4)14(16)17/h5,7-8,15H,1,6H2,2-4H3,(H,16,17)
InChIKey
MYBSMVQMPYKREA-UHFFFAOYSA-N
Compound name
2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.132876 151.9
[M+Na]+ 257.114818 160.1
[M-H]- 233.118324 153.5
[M+NH4]+ 252.159423 169.2
[M+K]+ 273.088758 156.7
[M+H-H2O]+ 217.122860 146.9
[M+HCOO]- 279.123801 170.9
[M+CH3COO]- 293.139451 192.3
[M+Na-2H]- 255.100266 151.4
[M]+ 234.12505142 153.2
[M]- 234.12614858 153.2
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

No patent data available for this compound.