CID 556349

N-methyl-3-nitropyridin-2-amine

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CNC1=C(C=CC=N1)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O2/c1-7-6-5(9(10)11)3-2-4-8-6/h2-4H,1H3,(H,7,8)
InChIKey
SILGRKFIVIVPKA-UHFFFAOYSA-N
Compound name
N-methyl-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

153.05383 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 126.6
[M+Na]+ 176.04305 139.7
[M+NH4]+ 171.08765 134.8
[M+K]+ 192.01699 136.7
[M-H]- 152.04655 130.0
[M+Na-2H]- 174.02850 134.0
[M]+ 153.05328 129.2
[M]- 153.05438 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe