CID 19606277

Methyl 3-formyl-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=CC2=C(C=C1)NC=C2C=O
InChI
InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-10-9(4-7)8(6-13)5-12-10/h2-6,12H,1H3
InChIKey
UGLRSYDAOVKFIJ-UHFFFAOYSA-N
Compound name
methyl 3-formyl-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

203.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.4
[M+Na]+ 226.04746 151.0
[M-H]- 202.05096 143.3
[M+NH4]+ 221.09206 160.8
[M+K]+ 242.02140 147.7
[M+H-H2O]+ 186.05550 134.5
[M+HCOO]- 248.05644 163.7
[M+CH3COO]- 262.07209 181.4
[M+Na-2H]- 224.03291 146.2
[M]+ 203.05769 143.7
[M]- 203.05879 143.7
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