CID 50591

1h-indol-3-ol

Structural Information

Molecular Formula
C8H7NO
SMILES
C1=CC=C2C(=C1)C(=CN2)O
InChI
InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
InChIKey
PCKPVGOLPKLUHR-UHFFFAOYSA-N
Compound name
1H-indol-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

91
References

14774
Patents

133.05276 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 123.0
[M+Na]+ 156.04198 136.7
[M+NH4]+ 151.08658 132.4
[M+K]+ 172.01592 131.9
[M-H]- 132.04548 124.5
[M+Na-2H]- 154.02743 130.2
[M]+ 133.05221 125.3
[M]- 133.05331 125.3
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