CID 804602

496913-51-0

Structural Information

Molecular Formula
C13H15NO5
SMILES
COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2CC2)OC
InChI
InChI=1S/C13H15NO5/c1-18-10-5-8(13(16)17)9(6-11(10)19-2)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey
JXGBRFGCGDKCCP-UHFFFAOYSA-N
Compound name
2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

265.09503 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 158.8
[M+Na]+ 288.08425 170.1
[M+NH4]+ 283.12885 165.1
[M+K]+ 304.05819 167.8
[M-H]- 264.08775 166.9
[M+Na-2H]- 286.06970 165.5
[M]+ 265.09448 163.5
[M]- 265.09558 163.5
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

No patent data available for this compound.