CID 433024

4578-63-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
Patents

194.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.2
[M+Na]+ 217.083518 149.2
[M-H]- 193.087024 142.8
[M+NH4]+ 212.128123 159.9
[M+K]+ 233.057458 147.1
[M+H-H2O]+ 177.091560 136.7
[M+HCOO]- 239.092501 160.4
[M+CH3COO]- 253.108151 180.2
[M+Na-2H]- 215.068966 145.6
[M]+ 194.09375142 141.3
[M]- 194.09484858 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