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

109
Patents

253.09502 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10230 154.8
[M+Na]+ 276.08424 161.2
[M-H]- 252.08774 156.2
[M+NH4]+ 271.12884 170.4
[M+K]+ 292.05818 160.1
[M+H-H2O]+ 236.09228 149.2
[M+HCOO]- 298.09322 174.3
[M+CH3COO]- 312.10887 191.6
[M+Na-2H]- 274.06969 157.9
[M]+ 253.09447 155.8
[M]- 253.09557 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