CID 386815

Nsc679523

Structural Information

Molecular Formula
C13H13NO4
SMILES
CC1=C(C2=C(N1C(=O)OC)C=C(C=C2)OC)C=O
InChI
InChI=1S/C13H13NO4/c1-8-11(7-15)10-5-4-9(17-2)6-12(10)14(8)13(16)18-3/h4-7H,1-3H3
InChIKey
SNHMEHSOGVTAFK-UHFFFAOYSA-N
Compound name
methyl 3-formyl-6-methoxy-2-methylindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 151.2
[M+Na]+ 270.07368 163.1
[M-H]- 246.07718 156.0
[M+NH4]+ 265.11828 171.1
[M+K]+ 286.04762 160.9
[M+H-H2O]+ 230.08172 145.2
[M+HCOO]- 292.08266 175.5
[M+CH3COO]- 306.09831 193.9
[M+Na-2H]- 268.05913 155.2
[M]+ 247.08391 159.3
[M]- 247.08501 159.3
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.