CID 14524362

2-(1h-indol-3-yl)acetonitrile oxide

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CC#[N+][O-]
InChI
InChI=1S/C10H8N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5H2
InChIKey
WOXXCJPORJLDNR-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)acetonitrile oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

172.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 141.9
[M+Na]+ 195.05288 153.2
[M-H]- 171.05638 142.2
[M+NH4]+ 190.09748 160.0
[M+K]+ 211.02682 142.7
[M+H-H2O]+ 155.06092 133.5
[M+HCOO]- 217.06186 160.9
[M+CH3COO]- 231.07751 179.3
[M+Na-2H]- 193.03833 150.0
[M]+ 172.06311 134.7
[M]- 172.06421 134.7
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.