CID 11321062

3-methyl-5-nitropyridin-4-amine

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CC1=CN=CC(=C1N)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O2/c1-4-2-8-3-5(6(4)7)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey
BFOWXBARPYDGQE-UHFFFAOYSA-N
Compound name
3-methyl-5-nitropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

153.05383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 126.5
[M+Na]+ 176.043048 135.1
[M-H]- 152.046554 129.3
[M+NH4]+ 171.087653 145.3
[M+K]+ 192.016988 129.6
[M+H-H2O]+ 136.051090 124.9
[M+HCOO]- 198.052031 152.4
[M+CH3COO]- 212.067681 172.3
[M+Na-2H]- 174.028496 135.4
[M]+ 153.05328142 123.7
[M]- 153.05437858 123.7
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