CID 117194

25384-72-9

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC(C)(COC(=O)N)COC(=O)NCC#C
InChI
InChI=1S/C11H18N2O4/c1-4-6-13-10(15)17-8-11(3,5-2)7-16-9(12)14/h1H,5-8H2,2-3H3,(H2,12,14)(H,13,15)
InChIKey
ZBIWEHXTTKECOE-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylbutyl] N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 158.1
[M+Na]+ 265.115878 164.2
[M-H]- 241.119384 156.7
[M+NH4]+ 260.160483 172.7
[M+K]+ 281.089818 164.0
[M+H-H2O]+ 225.123920 146.2
[M+HCOO]- 287.124861 173.9
[M+CH3COO]- 301.140511 202.7
[M+Na-2H]- 263.101326 159.5
[M]+ 242.12611142 154.5
[M]- 242.12720858 154.5
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.