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]+ 173.070936 141.9
[M+Na]+ 195.052878 153.2
[M-H]- 171.056384 142.2
[M+NH4]+ 190.097483 160.0
[M+K]+ 211.026818 142.7
[M+H-H2O]+ 155.060920 133.5
[M+HCOO]- 217.061861 160.9
[M+CH3COO]- 231.077511 179.3
[M+Na-2H]- 193.038326 150.0
[M]+ 172.06311142 134.7
[M]- 172.06420858 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.