CID 735825

Methyl 3-formyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=C(C2=CC=CC=C2N1)C=O
InChI
InChI=1S/C11H9NO3/c1-15-11(14)10-8(6-13)7-4-2-3-5-9(7)12-10/h2-6,12H,1H3
InChIKey
UUNXYIKVJPXHTO-UHFFFAOYSA-N
Compound name
methyl 3-formyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

203.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.4
[M+Na]+ 226.047458 151.0
[M-H]- 202.050964 143.3
[M+NH4]+ 221.092063 160.8
[M+K]+ 242.021398 147.7
[M+H-H2O]+ 186.055500 134.5
[M+HCOO]- 248.056441 163.7
[M+CH3COO]- 262.072091 181.4
[M+Na-2H]- 224.032906 146.2
[M]+ 203.05769142 143.7
[M]- 203.05878858 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