CID 53967

Brn 1781912

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CCC(C)(C#C)OC(=O)NC(=O)N
InChI
InChI=1S/C8H12N2O3/c1-4-8(3,5-2)13-7(12)10-6(9)11/h1H,5H2,2-3H3,(H3,9,10,11,12)
InChIKey
STYRAZKNETZDFP-UHFFFAOYSA-N
Compound name
3-methylpent-1-yn-3-yl N-carbamoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0848 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 142.2
[M+Na]+ 207.07402 148.6
[M+NH4]+ 202.11862 143.9
[M+K]+ 223.04796 143.4
[M-H]- 183.07752 132.2
[M+Na-2H]- 205.05947 140.7
[M]+ 184.08425 138.9
[M]- 184.08535 138.9
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

No patent data available for this compound.