CID 75707

N,n-dimethyl-5-nitropyridin-2-amine

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CN(C)C1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O2/c1-9(2)7-4-3-6(5-8-7)10(11)12/h3-5H,1-2H3
InChIKey
UCAOGXRUJFKQAP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3481
Patents

167.06947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 130.9
[M+Na]+ 190.05869 138.3
[M-H]- 166.06219 135.1
[M+NH4]+ 185.10329 149.8
[M+K]+ 206.03263 134.3
[M+H-H2O]+ 150.06673 128.7
[M+HCOO]- 212.06767 157.7
[M+CH3COO]- 226.08332 178.6
[M+Na-2H]- 188.04414 140.2
[M]+ 167.06892 130.3
[M]- 167.07002 130.3
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