CID 15534983

105214-06-0

Structural Information

Molecular Formula
C11H7N3O2
SMILES
C1=CC2=C(C(=C(C=C2)CC#N)[N+](=O)[O-])N=C1
InChI
InChI=1S/C11H7N3O2/c12-6-5-9-4-3-8-2-1-7-13-10(8)11(9)14(15)16/h1-4,7H,5H2
InChIKey
OSAXEKYNPVXOBB-UHFFFAOYSA-N
Compound name
2-(8-nitroquinolin-7-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05383 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.061106 149.4
[M+Na]+ 236.043048 159.5
[M-H]- 212.046554 151.7
[M+NH4]+ 231.087653 164.8
[M+K]+ 252.016988 151.0
[M+H-H2O]+ 196.051090 139.7
[M+HCOO]- 258.052031 168.8
[M+CH3COO]- 272.067681 194.5
[M+Na-2H]- 234.028496 157.7
[M]+ 213.05328142 143.4
[M]- 213.05437858 143.4
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.