CID 3067318

Pyrano(2,3-g)indole-2-carboxylic acid, 1,7,8,9-tetrahydro-5-methoxy-

Structural Information

Molecular Formula
C13H13NO4
SMILES
COC1=C2C(=C3C(=C1)C=C(N3)C(=O)O)CCCO2
InChI
InChI=1S/C13H13NO4/c1-17-10-6-7-5-9(13(15)16)14-11(7)8-3-2-4-18-12(8)10/h5-6,14H,2-4H2,1H3,(H,15,16)
InChIKey
ZUPNYCBRFZYXLA-UHFFFAOYSA-N
Compound name
5-methoxy-1,7,8,9-tetrahydropyrano[2,3-g]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.08446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 152.1
[M+Na]+ 270.07368 164.2
[M+NH4]+ 265.11828 159.6
[M+K]+ 286.04762 161.3
[M-H]- 246.07718 153.8
[M+Na-2H]- 268.05913 154.8
[M]+ 247.08391 154.1
[M]- 247.08501 154.1
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