CID 524508

6-hydroxyindole

Structural Information

Molecular Formula
C8H7NO
SMILES
C1=CC(=CC2=C1C=CN2)O
InChI
InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H
InChIKey
XAWPKHNOFIWWNZ-UHFFFAOYSA-N
Compound name
1H-indol-6-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

12119
Patents

133.05276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 122.4
[M+Na]+ 156.041978 132.9
[M-H]- 132.045484 123.9
[M+NH4]+ 151.086583 144.9
[M+K]+ 172.015918 128.9
[M+H-H2O]+ 116.050020 117.2
[M+HCOO]- 178.050961 145.4
[M+CH3COO]- 192.066611 137.0
[M+Na-2H]- 154.027426 131.3
[M]+ 133.05221142 121.6
[M]- 133.05330858 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe