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-nitropyridin-2-yl)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]+ 192.07675 145.7
[M+Na]+ 214.05869 154.7
[M-H]- 190.06219 147.7
[M+NH4]+ 209.10329 161.2
[M+K]+ 230.03263 149.2
[M+H-H2O]+ 174.06673 136.8
[M+HCOO]- 236.06767 164.7
[M+CH3COO]- 250.08332 190.5
[M+Na-2H]- 212.04414 153.7
[M]+ 191.06892 139.4
[M]- 191.07002 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.