CID 25200514

2,3,5,6-tetrahydro-1h-indole-5,6-diol

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CNC2=CC(C(C=C21)O)O
InChI
InChI=1S/C8H11NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,7-11H,1-2H2
InChIKey
INIJHFWSVNHMDI-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrahydro-1H-indole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.0
[M+Na]+ 176.068198 138.7
[M-H]- 152.071704 130.2
[M+NH4]+ 171.112803 151.8
[M+K]+ 192.042138 135.0
[M+H-H2O]+ 136.076240 126.0
[M+HCOO]- 198.077181 148.2
[M+CH3COO]- 212.092831 167.7
[M+Na-2H]- 174.053646 135.6
[M]+ 153.07843142 125.8
[M]- 153.07952858 125.8
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

No patent data available for this compound.