CID 137137661

1-[(6-chloropyridin-3-yl)methyl]-2-nitroguanidine

Structural Information

Molecular Formula
C7H8ClN5O2
SMILES
C1=CC(=NC=C1CN/C(=N\[N+](=O)[O-])/N)Cl
InChI
InChI=1S/C7H8ClN5O2/c8-6-2-1-5(3-10-6)4-11-7(9)12-13(14)15/h1-3H,4H2,(H3,9,11,12)
InChIKey
GHBBFPGYBPOUCF-UHFFFAOYSA-N
Compound name
1-[(6-chloropyridin-3-yl)methyl]-2-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

229.03665 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04393 144.3
[M+Na]+ 252.02587 150.4
[M-H]- 228.02937 147.3
[M+NH4]+ 247.07047 160.2
[M+K]+ 267.99981 143.8
[M+H-H2O]+ 212.03391 142.0
[M+HCOO]- 274.03485 167.8
[M+CH3COO]- 288.05050 189.1
[M+Na-2H]- 250.01132 152.7
[M]+ 229.03610 142.2
[M]- 229.03720 142.2
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

No patent data available for this compound.