CID 75421

4-hydroxyindole

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

24
References

11425
Patents

133.05276 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 122.4
[M+Na]+ 156.04198 132.9
[M-H]- 132.04548 123.9
[M+NH4]+ 151.08658 144.9
[M+K]+ 172.01592 128.9
[M+H-H2O]+ 116.05002 117.2
[M+HCOO]- 178.05096 145.4
[M+CH3COO]- 192.06661 137.0
[M+Na-2H]- 154.02743 131.3
[M]+ 133.05221 121.6
[M]- 133.05331 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