CID 847728

Pyrano(2,3-g)indol-9(1h)-one, 7,8-dihydro-5-methoxy-

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC1=C2C(=C3C(=C1)C=CN3)C(=O)CCO2
InChI
InChI=1S/C12H11NO3/c1-15-9-6-7-2-4-13-11(7)10-8(14)3-5-16-12(9)10/h2,4,6,13H,3,5H2,1H3
InChIKey
JQSDDEOTKCXZRJ-UHFFFAOYSA-N
Compound name
5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 142.8
[M+Na]+ 240.06312 153.3
[M-H]- 216.06662 147.0
[M+NH4]+ 235.10772 162.4
[M+K]+ 256.03706 150.4
[M+H-H2O]+ 200.07116 136.9
[M+HCOO]- 262.07210 162.5
[M+CH3COO]- 276.08775 156.4
[M+Na-2H]- 238.04857 150.2
[M]+ 217.07335 144.8
[M]- 217.07445 144.8
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