CID 4777846

3-formyl-5-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC1=CC2=C(C=C1)NC(=C2C=O)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)8(5-13)10(12-9)11(14)15/h2-5,12H,1H3,(H,14,15)
InChIKey
NZXXOJMGRWQUOZ-UHFFFAOYSA-N
Compound name
3-formyl-5-methoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.05316 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 143.2
[M+Na]+ 242.04238 153.9
[M-H]- 218.04588 145.0
[M+NH4]+ 237.08698 162.2
[M+K]+ 258.01632 150.4
[M+H-H2O]+ 202.05042 137.6
[M+HCOO]- 264.05136 165.1
[M+CH3COO]- 278.06701 183.0
[M+Na-2H]- 240.02783 148.0
[M]+ 219.05261 146.5
[M]- 219.05371 146.5
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