CID 82281268

1368714-46-8

Structural Information

Molecular Formula
C12H14O2
SMILES
CC(C)C1=CC=C(C=C1)C(=C)C(=O)O
InChI
InChI=1S/C12H14O2/c1-8(2)10-4-6-11(7-5-10)9(3)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)
InChIKey
KBDNRDJFVITYCM-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 142.9
[M+Na]+ 213.08860 154.2
[M+NH4]+ 208.13320 150.2
[M+K]+ 229.06254 149.3
[M-H]- 189.09210 143.6
[M+Na-2H]- 211.07405 147.9
[M]+ 190.09883 144.5
[M]- 190.09993 144.5
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.