CID 16206210

98510-78-2

Structural Information

Molecular Formula
C13H16O4
SMILES
CC(C)COC1=CC=CC(=C1O)/C=C/C(=O)O
InChI
InChI=1S/C13H16O4/c1-9(2)8-17-11-5-3-4-10(13(11)16)6-7-12(14)15/h3-7,9,16H,8H2,1-2H3,(H,14,15)/b7-6+
InChIKey
CAQDGHXUYYLXHM-VOTSOKGWSA-N
Compound name
(E)-3-[2-hydroxy-3-(2-methylpropoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.112136 152.7
[M+Na]+ 259.094078 159.3
[M-H]- 235.097584 153.6
[M+NH4]+ 254.138683 169.2
[M+K]+ 275.068018 156.7
[M+H-H2O]+ 219.102120 146.9
[M+HCOO]- 281.103061 172.2
[M+CH3COO]- 295.118711 188.1
[M+Na-2H]- 257.079526 154.0
[M]+ 236.10431142 154.1
[M]- 236.10540858 154.1
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.