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]+ 248.091736 151.1
[M+Na]+ 270.073678 160.1
[M-H]- 246.077184 153.7
[M+NH4]+ 265.118283 168.5
[M+K]+ 286.047618 157.4
[M+H-H2O]+ 230.081720 145.2
[M+HCOO]- 292.082661 168.0
[M+CH3COO]- 306.098311 163.3
[M+Na-2H]- 268.059126 156.5
[M]+ 247.08391142 152.5
[M]- 247.08500858 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