CID 57484126

596790-84-0

Structural Information

Molecular Formula
C12H15NO5
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1O)C(=O)O
InChI
InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-8-6-4-5-7(9(8)14)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
InChIKey
YMPSYGJIOJTGTQ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

253.09502 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10230 155.7
[M+Na]+ 276.08424 164.1
[M+NH4]+ 271.12884 160.2
[M+K]+ 292.05818 162.2
[M-H]- 252.08774 154.1
[M+Na-2H]- 274.06969 158.4
[M]+ 253.09447 156.0
[M]- 253.09557 156.0
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