CID 135481969

1003-35-6

Structural Information

Molecular Formula
C2H4N4O
SMILES
C1(=NNC(=O)N1)N
InChI
InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
InChIKey
XOHBRLLZSIGHDE-UHFFFAOYSA-N
Compound name
3-amino-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

100.03851 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.04579 115.4
[M+Na]+ 123.02773 125.2
[M-H]- 99.031234 112.7
[M+NH4]+ 118.07233 134.5
[M+K]+ 139.00167 122.6
[M+H-H2O]+ 83.035770 108.6
[M+HCOO]- 145.03671 136.8
[M+CH3COO]- 159.05236 160.0
[M+Na-2H]- 121.01318 122.3
[M]+ 100.03796 110.6
[M]- 100.03906 110.6
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

patents stripe