CID 14344952

1-methyl-3-(prop-2-yn-1-yl)urea

Structural Information

Molecular Formula
C5H8N2O
SMILES
CNC(=O)NCC#C
InChI
InChI=1S/C5H8N2O/c1-3-4-7-5(8)6-2/h1H,4H2,2H3,(H2,6,7,8)
InChIKey
QMWIAYLYKXMVPJ-UHFFFAOYSA-N
Compound name
1-methyl-3-prop-2-ynylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

112.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 125.4
[M+Na]+ 135.05288 134.1
[M+NH4]+ 130.09748 129.3
[M+K]+ 151.02682 126.5
[M-H]- 111.05638 117.6
[M+Na-2H]- 133.03833 126.5
[M]+ 112.06311 123.3
[M]- 112.06421 123.3
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

patents stripe