CID 137137661

1-[(6-chloro-3-pyridinyl)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-chloro-3-pyridinyl)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]+ 230.043926 144.3
[M+Na]+ 252.025868 150.4
[M-H]- 228.029374 147.3
[M+NH4]+ 247.070473 160.2
[M+K]+ 267.999808 143.8
[M+H-H2O]+ 212.033910 142.0
[M+HCOO]- 274.034851 167.8
[M+CH3COO]- 288.050501 189.1
[M+Na-2H]- 250.011316 152.7
[M]+ 229.03610142 142.2
[M]- 229.03719858 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.