CID 12979347

135018-15-4

Structural Information

Molecular Formula
C5H6ClN5O2S
SMILES
C1=C(SC(=N1)Cl)CN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C5H6ClN5O2S/c6-4-8-1-3(14-4)2-9-5(7)10-11(12)13/h1H,2H2,(H3,7,9,10)
InChIKey
ZTLCLYBKONTDBT-UHFFFAOYSA-N
Compound name
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

17
Patents

234.99307 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00035 143.8
[M+Na]+ 257.98229 150.3
[M-H]- 233.98579 147.2
[M+NH4]+ 253.02689 161.6
[M+K]+ 273.95623 143.2
[M+H-H2O]+ 217.99033 141.7
[M+HCOO]- 279.99127 162.9
[M+CH3COO]- 294.00692 186.8
[M+Na-2H]- 255.96774 148.7
[M]+ 234.99252 142.8
[M]- 234.99362 142.8
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

No patent data available for this compound.