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]+ 154.08626 131.0
[M+Na]+ 176.06820 138.7
[M-H]- 152.07170 130.2
[M+NH4]+ 171.11280 151.8
[M+K]+ 192.04214 135.0
[M+H-H2O]+ 136.07624 126.0
[M+HCOO]- 198.07718 148.2
[M+CH3COO]- 212.09283 167.7
[M+Na-2H]- 174.05365 135.6
[M]+ 153.07843 125.8
[M]- 153.07953 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.