CID 60631613

N-methyl-6-nitropyridin-3-amine

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CNC1=CN=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O2/c1-7-5-2-3-6(8-4-5)9(10)11/h2-4,7H,1H3
InChIKey
NAXPEXYGRNHRSQ-UHFFFAOYSA-N
Compound name
N-methyl-6-nitropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

153.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 126.2
[M+Na]+ 176.043048 133.8
[M-H]- 152.046554 129.1
[M+NH4]+ 171.087653 145.0
[M+K]+ 192.016988 128.7
[M+H-H2O]+ 136.051090 124.3
[M+HCOO]- 198.052031 152.8
[M+CH3COO]- 212.067681 172.0
[M+Na-2H]- 174.028496 136.8
[M]+ 153.05328142 124.0
[M]- 153.05437858 124.0
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