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]+ 207.087646 147.1
[M+Na]+ 229.069588 155.2
[M-H]- 205.073094 148.8
[M+NH4]+ 224.114193 161.6
[M+K]+ 245.043528 149.9
[M+H-H2O]+ 189.077630 137.5
[M+HCOO]- 251.078571 167.3
[M+CH3COO]- 265.094221 196.2
[M+Na-2H]- 227.055036 152.9
[M]+ 206.07982142 140.2
[M]- 206.08091858 140.2
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.