CID 24229781

3-{[(allyloxy)carbonyl]amino}-5-hydroxybenzoic acid

Structural Information

Molecular Formula
C11H11NO5
SMILES
C=CCOC(=O)NC1=CC(=CC(=C1)C(=O)O)O
InChI
InChI=1S/C11H11NO5/c1-2-3-17-11(16)12-8-4-7(10(14)15)5-9(13)6-8/h2,4-6,13H,1,3H2,(H,12,16)(H,14,15)
InChIKey
MYOCYAGTJQROGX-UHFFFAOYSA-N
Compound name
3-hydroxy-5-(prop-2-enoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.070996 149.3
[M+Na]+ 260.052938 156.0
[M-H]- 236.056444 150.5
[M+NH4]+ 255.097543 165.2
[M+K]+ 276.026878 153.9
[M+H-H2O]+ 220.060980 143.1
[M+HCOO]- 282.061921 170.8
[M+CH3COO]- 296.077571 188.1
[M+Na-2H]- 258.038386 152.0
[M]+ 237.06317142 149.8
[M]- 237.06426858 149.8
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

No patent data available for this compound.