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

41
Patents

126.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 127.8
[M+Na]+ 149.068533 135.9
[M-H]- 125.072039 128.8
[M+NH4]+ 144.113138 147.6
[M+K]+ 165.042473 136.2
[M+H-H2O]+ 109.076575 116.5
[M+HCOO]- 171.077516 147.6
[M+CH3COO]- 185.093166 187.6
[M+Na-2H]- 147.053981 132.4
[M]+ 126.07876642 122.6
[M]- 126.07986358 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