CID 345644

5-methyl-3-nitropyridin-2-amine

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CC1=CC(=C(N=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3,(H2,7,8)
InChIKey
ZJKGRSJMFDIRPX-UHFFFAOYSA-N
Compound name
5-methyl-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

121
Patents

153.05383 Da
Monoisotopic Mass

1.2
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 134.6
[M+K]+ 192.01699 137.2
[M-H]- 152.04655 129.9
[M+Na-2H]- 174.02850 133.3
[M]+ 153.05328 129.1
[M]- 153.05438 129.1
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