CID 3021996

Gamma-resorcylic acid, 4-(p-methylbenzyl)-

Structural Information

Molecular Formula
C15H14O4
SMILES
CC1=CC=C(C=C1)CC2=CC(=C(C(=C2)O)C(=O)O)O
InChI
InChI=1S/C15H14O4/c1-9-2-4-10(5-3-9)6-11-7-12(16)14(15(18)19)13(17)8-11/h2-5,7-8,16-17H,6H2,1H3,(H,18,19)
InChIKey
QULOOOAMYKMCTN-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-4-[(4-methylphenyl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.3
[M+Na]+ 281.07842 164.6
[M-H]- 257.08192 160.0
[M+NH4]+ 276.12302 171.4
[M+K]+ 297.05236 160.4
[M+H-H2O]+ 241.08646 149.9
[M+HCOO]- 303.08740 175.8
[M+CH3COO]- 317.10305 190.8
[M+Na-2H]- 279.06387 158.5
[M]+ 258.08865 156.3
[M]- 258.08975 156.3
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