CID 2777182

5221-62-5

Structural Information

Molecular Formula
C4H6N2O
SMILES
C#CCNC(=O)N
InChI
InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h1H,3H2,(H3,5,6,7)
InChIKey
LJPYJRMMPVFEKR-UHFFFAOYSA-N
Compound name
prop-2-ynylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2212
Patents

98.04801 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 121.5
[M+Na]+ 121.03723 130.0
[M+NH4]+ 116.08183 125.3
[M+K]+ 137.01117 122.9
[M-H]- 97.040734 113.5
[M+Na-2H]- 119.02268 122.3
[M]+ 98.047461 119.2
[M]- 98.048559 119.2
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