CID 11424104

Tert-butyl 2-hydroxybenzoate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)(C)OC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7,12H,1-3H3
InChIKey
QAZYGHLQQPTQAX-UHFFFAOYSA-N
Compound name
tert-butyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

756
Patents

194.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.5
[M+Na]+ 217.083518 149.2
[M-H]- 193.087024 144.3
[M+NH4]+ 212.128123 160.7
[M+K]+ 233.057458 147.9
[M+H-H2O]+ 177.091560 136.5
[M+HCOO]- 239.092501 162.4
[M+CH3COO]- 253.108151 180.9
[M+Na-2H]- 215.068966 147.1
[M]+ 194.09375142 143.1
[M]- 194.09484858 143.1
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