CID 798

Indole

Structural Information

Molecular Formula
C8H7N
SMILES
C1=CC=C2C(=C1)C=CN2
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey
SIKJAQJRHWYJAI-UHFFFAOYSA-N
Compound name
1H-indole
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

7372
References

169995
Patents

117.057846 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06512 118.6
[M+Na]+ 140.04706 128.7
[M-H]- 116.05057 121.1
[M+NH4]+ 135.09167 142.2
[M+K]+ 156.02100 125.2
[M+H-H2O]+ 100.05511 113.1
[M+HCOO]- 162.05605 143.0
[M+CH3COO]- 176.07170 133.7
[M+Na-2H]- 138.03251 128.8
[M]+ 117.05730 117.9
[M]- 117.05839 117.9
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.