CID 80712423

1549459-53-1

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CC(C)NC1=NC=CC(=C1[N+](=O)[O-])C#N
InChI
InChI=1S/C9H10N4O2/c1-6(2)12-9-8(13(14)15)7(5-10)3-4-11-9/h3-4,6H,1-2H3,(H,11,12)
InChIKey
WYSBVBYWZTUPKJ-UHFFFAOYSA-N
Compound name
3-nitro-2-(propan-2-ylamino)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 145.2
[M+Na]+ 229.06959 156.6
[M+NH4]+ 224.11419 148.9
[M+K]+ 245.04353 150.7
[M-H]- 205.07309 140.6
[M+Na-2H]- 227.05504 148.2
[M]+ 206.07982 144.4
[M]- 206.08092 144.4
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.