CID 53425786

3-methoxy-5-nitropyridin-2-amine

Structural Information

Molecular Formula
C6H7N3O3
SMILES
COC1=C(N=CC(=C1)[N+](=O)[O-])N
InChI
InChI=1S/C6H7N3O3/c1-12-5-2-4(9(10)11)3-8-6(5)7/h2-3H,1H3,(H2,7,8)
InChIKey
MUEPJELQLAYHSH-UHFFFAOYSA-N
Compound name
3-methoxy-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

169.04874 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.056016 129.5
[M+Na]+ 192.037958 137.9
[M-H]- 168.041464 132.2
[M+NH4]+ 187.082563 147.5
[M+K]+ 208.011898 132.8
[M+H-H2O]+ 152.046000 127.6
[M+HCOO]- 214.046941 155.6
[M+CH3COO]- 228.062591 174.4
[M+Na-2H]- 190.023406 138.4
[M]+ 169.04819142 128.0
[M]- 169.04928858 128.0
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

patents stripe