CID 162345160

Ns00133541

Structural Information

Molecular Formula
C4H6ClN5
SMILES
CN(C)C1=NC(=NCl)N=N1
InChI
InChI=1S/C4H6ClN5/c1-10(2)4-6-3(7-5)8-9-4/h1-2H3
InChIKey
GLAVHWHRPQWEKI-UHFFFAOYSA-N
Compound name
5-chloroimino-N,N-dimethyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.03117 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.038446 129.8
[M+Na]+ 182.020388 140.1
[M-H]- 158.023894 132.6
[M+NH4]+ 177.064993 150.1
[M+K]+ 197.994328 139.0
[M+H-H2O]+ 142.028430 121.6
[M+HCOO]- 204.029371 152.2
[M+CH3COO]- 218.045021 183.1
[M+Na-2H]- 180.005836 137.3
[M]+ 159.03062142 132.9
[M]- 159.03171858 132.9
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.