CID 14401510

66737-88-0

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)(C)C1=C(C=CC(=C1)C(=O)O)O
InChI
InChI=1S/C11H14O3/c1-11(2,3)8-6-7(10(13)14)4-5-9(8)12/h4-6,12H,1-3H3,(H,13,14)
InChIKey
PVFDJRIEGYDIEK-UHFFFAOYSA-N
Compound name
3-tert-butyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

412
Patents

194.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.2
[M+Na]+ 217.08352 149.2
[M-H]- 193.08702 142.8
[M+NH4]+ 212.12812 159.9
[M+K]+ 233.05746 147.1
[M+H-H2O]+ 177.09156 136.7
[M+HCOO]- 239.09250 160.4
[M+CH3COO]- 253.10815 180.2
[M+Na-2H]- 215.06897 145.6
[M]+ 194.09375 141.3
[M]- 194.09485 141.3
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