CID 91662867

3-amino-2-(propan-2-yloxy)benzoic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC(C)OC1=C(C=CC=C1N)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-6(2)14-9-7(10(12)13)4-3-5-8(9)11/h3-6H,11H2,1-2H3,(H,12,13)
InChIKey
PKNGHEZREGMJKR-UHFFFAOYSA-N
Compound name
3-amino-2-propan-2-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.7
[M+Na]+ 218.07876 148.9
[M-H]- 194.08226 144.0
[M+NH4]+ 213.12336 160.1
[M+K]+ 234.05270 147.5
[M+H-H2O]+ 178.08680 135.9
[M+HCOO]- 240.08774 163.7
[M+CH3COO]- 254.10339 185.4
[M+Na-2H]- 216.06421 144.1
[M]+ 195.08899 141.4
[M]- 195.09009 141.4
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

No patent data available for this compound.