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 151.1
[M+Na]+ 270.07368 160.1
[M-H]- 246.07718 153.7
[M+NH4]+ 265.11828 168.5
[M+K]+ 286.04762 157.4
[M+H-H2O]+ 230.08172 145.2
[M+HCOO]- 292.08266 168.0
[M+CH3COO]- 306.09831 163.3
[M+Na-2H]- 268.05913 156.5
[M]+ 247.08391 152.5
[M]- 247.08501 152.5
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