CID 44190381

1,1-dimethyl-3-(prop-2-yn-1-yl)urea

Structural Information

Molecular Formula
C6H10N2O
SMILES
CN(C)C(=O)NCC#C
InChI
InChI=1S/C6H10N2O/c1-4-5-7-6(9)8(2)3/h1H,5H2,2-3H3,(H,7,9)
InChIKey
NABKXCLVIQJWTD-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-prop-2-ynylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

126.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 127.8
[M+Na]+ 149.06853 135.9
[M-H]- 125.07204 128.8
[M+NH4]+ 144.11314 147.6
[M+K]+ 165.04247 136.2
[M+H-H2O]+ 109.07658 116.5
[M+HCOO]- 171.07752 147.6
[M+CH3COO]- 185.09317 187.6
[M+Na-2H]- 147.05398 132.4
[M]+ 126.07877 122.6
[M]- 126.07986 122.6
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