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]+ 214.06111 149.4
[M+Na]+ 236.04305 159.5
[M-H]- 212.04655 151.7
[M+NH4]+ 231.08765 164.8
[M+K]+ 252.01699 151.0
[M+H-H2O]+ 196.05109 139.7
[M+HCOO]- 258.05203 168.8
[M+CH3COO]- 272.06768 194.5
[M+Na-2H]- 234.02850 157.7
[M]+ 213.05328 143.4
[M]- 213.05438 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.