CID 762965

Methyl 3-formyl-1h-indole-7-carboxylate

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=CC=CC2=C1NC=C2C=O
InChI
InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-3-8-7(6-13)5-12-10(8)9/h2-6,12H,1H3
InChIKey
JVUPHJBFLSMOGY-UHFFFAOYSA-N
Compound name
methyl 3-formyl-1H-indole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

203.05824 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe