CID 117047339

2-methyl-2-(3-nitropyridin-2-yl)propanenitrile

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC(C)(C#N)C1=C(C=CC=N1)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c1-9(2,6-10)8-7(12(13)14)4-3-5-11-8/h3-5H,1-2H3
InChIKey
AEZKMQYHUVLBSQ-UHFFFAOYSA-N
Compound name
2-methyl-2-(3-nitro-2-pyridinyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 145.7
[M+Na]+ 214.058688 154.7
[M-H]- 190.062194 147.7
[M+NH4]+ 209.103293 161.2
[M+K]+ 230.032628 149.2
[M+H-H2O]+ 174.066730 136.8
[M+HCOO]- 236.067671 164.7
[M+CH3COO]- 250.083321 190.5
[M+Na-2H]- 212.044136 153.7
[M]+ 191.06892142 139.4
[M]- 191.07001858 139.4
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.