CID 3044184

56872-71-0

Structural Information

Molecular Formula
C5H9N5O
SMILES
CN(C)C(=O)NC1=NC=NN1
InChI
InChI=1S/C5H9N5O/c1-10(2)5(11)8-4-6-3-7-9-4/h3H,1-2H3,(H2,6,7,8,9,11)
InChIKey
MYJPPMSENUWRIE-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(1H-1,2,4-triazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.0807 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08798 131.5
[M+Na]+ 178.06992 138.6
[M-H]- 154.07342 131.6
[M+NH4]+ 173.11452 149.4
[M+K]+ 194.04386 138.5
[M+H-H2O]+ 138.07796 123.0
[M+HCOO]- 200.07890 154.7
[M+CH3COO]- 214.09455 178.9
[M+Na-2H]- 176.05537 137.8
[M]+ 155.08015 130.0
[M]- 155.08125 130.0
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.