CID 123131584

Indole-3-carbinonium ion

Structural Information

Molecular Formula
C9H6N
SMILES
[CH+]=C1C=NC2=CC=CC=C12
InChI
InChI=1S/C9H6N/c1-7-6-10-9-5-3-2-4-8(7)9/h1-6H/q+1
InChIKey
NSQIQDGIPQVASR-UHFFFAOYSA-N
Compound name
3-methylideneindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

128.05002 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05730 124.0
[M+Na]+ 151.03924 134.1
[M-H]- 127.04274 128.1
[M+NH4]+ 146.08384 147.6
[M+K]+ 167.01318 125.7
[M+H-H2O]+ 111.04728 121.1
[M+HCOO]- 173.04822 148.0
[M+CH3COO]- 187.06387 165.0
[M+Na-2H]- 149.02469 134.5
[M]+ 128.04947 122.5
[M]- 128.05057 122.5
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

No patent data available for this compound.