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]+ 266.102306 154.3
[M+Na]+ 288.084248 163.0
[M-H]- 264.087754 161.0
[M+NH4]+ 283.128853 165.5
[M+K]+ 304.058188 160.0
[M+H-H2O]+ 248.092290 147.8
[M+HCOO]- 310.093231 176.9
[M+CH3COO]- 324.108881 200.3
[M+Na-2H]- 286.069696 156.7
[M]+ 265.09448142 160.0
[M]- 265.09557858 160.0
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.