CID 23279534

2-ethenyl-4-nitro-2h-1,2,3-triazole

Structural Information

Molecular Formula
C4H4N4O2
SMILES
C=CN1N=CC(=N1)[N+](=O)[O-]
InChI
InChI=1S/C4H4N4O2/c1-2-7-5-3-4(6-7)8(9)10/h2-3H,1H2
InChIKey
CQEKBIUMKCPDEC-UHFFFAOYSA-N
Compound name
2-ethenyl-4-nitrotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.03343 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04071 123.6
[M+Na]+ 163.02265 133.1
[M-H]- 139.02615 124.1
[M+NH4]+ 158.06725 142.2
[M+K]+ 178.99659 128.1
[M+H-H2O]+ 123.03069 120.8
[M+HCOO]- 185.03163 148.0
[M+CH3COO]- 199.04728 166.0
[M+Na-2H]- 161.00810 133.0
[M]+ 140.03288 122.1
[M]- 140.03398 122.1
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.