CID 23580

Brn 2620880

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(C)C1=CC(=CC(=C1OCC=C)C(C)C)C(=O)O
InChI
InChI=1S/C16H22O3/c1-6-7-19-15-13(10(2)3)8-12(16(17)18)9-14(15)11(4)5/h6,8-11H,1,7H2,2-5H3,(H,17,18)
InChIKey
OIOXCRHTASIASQ-UHFFFAOYSA-N
Compound name
3,5-di(propan-2-yl)-4-prop-2-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1569 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 162.8
[M+Na]+ 285.14612 173.6
[M+NH4]+ 280.19072 168.9
[M+K]+ 301.12006 168.6
[M-H]- 261.14962 162.9
[M+Na-2H]- 283.13157 165.8
[M]+ 262.15635 164.1
[M]- 262.15745 164.1
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.