CID 90735

22131-28-8

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCCCC(C)(COC(=O)N)COC(=O)NCC=C
InChI
InChI=1S/C13H24N2O4/c1-4-6-7-13(3,9-18-11(14)16)10-19-12(17)15-8-5-2/h5H,2,4,6-10H2,1,3H3,(H2,14,16)(H,15,17)
InChIKey
ATCGDUNXIDLZOF-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylhexyl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.180876 166.8
[M+Na]+ 295.162818 170.2
[M-H]- 271.166324 165.6
[M+NH4]+ 290.207423 182.2
[M+K]+ 311.136758 169.4
[M+H-H2O]+ 255.170860 160.4
[M+HCOO]- 317.171801 187.7
[M+CH3COO]- 331.187451 202.9
[M+Na-2H]- 293.148266 168.1
[M]+ 272.17305142 169.6
[M]- 272.17414858 169.6
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

No patent data available for this compound.