CID 293536

102339-11-7

Structural Information

Molecular Formula
C4H7ClN6O
SMILES
C(CCl)NC(=O)N1C(=NN=N1)N
InChI
InChI=1S/C4H7ClN6O/c5-1-2-7-4(12)11-3(6)8-9-10-11/h1-2H2,(H,7,12)(H2,6,8,10)
InChIKey
ADOXSTLMWXMWLZ-UHFFFAOYSA-N
Compound name
5-amino-N-(2-chloroethyl)tetrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03699 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04427 137.0
[M+Na]+ 213.02621 146.3
[M-H]- 189.02971 135.3
[M+NH4]+ 208.07081 153.0
[M+K]+ 229.00015 143.6
[M+H-H2O]+ 173.03425 128.4
[M+HCOO]- 235.03519 154.8
[M+CH3COO]- 249.05084 182.4
[M+Na-2H]- 211.01166 142.6
[M]+ 190.03644 137.2
[M]- 190.03754 137.2
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.