CID 25972

4-hydroxy-3,5-diisopropylbenzoic acid

Structural Information

Molecular Formula
C13H18O3
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)C(=O)O
InChI
InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)
InChIKey
WYAZPCLFZZTVSP-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-di(propan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

222.1256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 149.5
[M+Na]+ 245.11482 156.6
[M-H]- 221.11832 151.0
[M+NH4]+ 240.15942 167.0
[M+K]+ 261.08876 154.6
[M+H-H2O]+ 205.12286 144.4
[M+HCOO]- 267.12380 167.6
[M+CH3COO]- 281.13945 189.8
[M+Na-2H]- 243.10027 148.9
[M]+ 222.12505 150.1
[M]- 222.12615 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe