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]+ 156.087976 131.5
[M+Na]+ 178.069918 138.6
[M-H]- 154.073424 131.6
[M+NH4]+ 173.114523 149.4
[M+K]+ 194.043858 138.5
[M+H-H2O]+ 138.077960 123.0
[M+HCOO]- 200.078901 154.7
[M+CH3COO]- 214.094551 178.9
[M+Na-2H]- 176.055366 137.8
[M]+ 155.08015142 130.0
[M]- 155.08124858 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

literature stripe

Patent stripe

patents stripe