CID 135705551

5-cyano-3-azidoacetylindole oxime

Structural Information

Molecular Formula
C11H8N6O
SMILES
C1=CC2=C(C=C1C#N)C(=CN2)/C(=N/O)/CN=[N+]=[N-]
InChI
InChI=1S/C11H8N6O/c12-4-7-1-2-10-8(3-7)9(5-14-10)11(16-18)6-15-17-13/h1-3,5,14,18H,6H2/b16-11+
InChIKey
JBIIRRVXJCSZPD-LFIBNONCSA-N
Compound name
3-[(Z)-C-(azidomethyl)-N-hydroxycarbonimidoyl]-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08324 158.8
[M+Na]+ 263.06518 167.6
[M-H]- 239.06868 162.0
[M+NH4]+ 258.10978 174.3
[M+K]+ 279.03912 158.8
[M+H-H2O]+ 223.07322 147.7
[M+HCOO]- 285.07416 183.7
[M+CH3COO]- 299.08981 204.9
[M+Na-2H]- 261.05063 167.0
[M]+ 240.07541 151.2
[M]- 240.07651 151.2
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.