CID 10332476

184033-42-9

Structural Information

Molecular Formula
C12H15NO5
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C12H15NO5/c1-12(2,3)18-11(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
JFWQHAPICIFSGD-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

253.09502 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.102296 154.8
[M+Na]+ 276.084238 161.2
[M-H]- 252.087744 156.2
[M+NH4]+ 271.128843 170.4
[M+K]+ 292.058178 160.1
[M+H-H2O]+ 236.092280 149.2
[M+HCOO]- 298.093221 174.3
[M+CH3COO]- 312.108871 191.6
[M+Na-2H]- 274.069686 157.9
[M]+ 253.09447142 155.8
[M]- 253.09556858 155.8
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