CID 9881652

Dhmeq

Structural Information

Molecular Formula
C13H11NO5
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=O)[C@@H]3[C@H]([C@H]2O)O3)O
InChI
InChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m0/s1
InChIKey
IUOMATKBBPCLFR-TUAOUCFPSA-N
Compound name
2-hydroxy-N-[(1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

159
References

382
Patents

261.06372 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07100 151.7
[M+Na]+ 284.05294 161.7
[M-H]- 260.05644 158.8
[M+NH4]+ 279.09754 162.2
[M+K]+ 300.02688 158.3
[M+H-H2O]+ 244.06098 145.4
[M+HCOO]- 306.06192 170.9
[M+CH3COO]- 320.07757 197.0
[M+Na-2H]- 282.03839 157.2
[M]+ 261.06317 154.9
[M]- 261.06427 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe