CID 503703

Schembl21708393

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)(C)C(=O)NC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C12H15NO4/c1-12(2,3)11(17)13-7-4-5-8(10(15)16)9(14)6-7/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
InChIKey
PGZUHXYFQKRZHS-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylpropanoylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.10011 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 151.9
[M+Na]+ 260.08933 158.4
[M-H]- 236.09283 153.3
[M+NH4]+ 255.13393 168.2
[M+K]+ 276.06327 156.7
[M+H-H2O]+ 220.09737 146.5
[M+HCOO]- 282.09831 171.1
[M+CH3COO]- 296.11396 190.0
[M+Na-2H]- 258.07478 154.9
[M]+ 237.09956 151.6
[M]- 237.10066 151.6
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.