CID 535302

4-tert-butoxybenzoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)(C)OC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey
WHTBQELRENWGTE-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

194.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.1
[M+Na]+ 217.08352 153.5
[M+NH4]+ 212.12812 149.4
[M+K]+ 233.05746 149.0
[M-H]- 193.08702 142.4
[M+Na-2H]- 215.06897 147.7
[M]+ 194.09375 143.7
[M]- 194.09485 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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