CID 117226

25385-26-6

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CCCCC(CC)(COC(=O)N)COC(=O)NCC#C
InChI
InChI=1S/C14H24N2O4/c1-4-7-8-14(6-3,10-19-12(15)17)11-20-13(18)16-9-5-2/h2H,4,6-11H2,1,3H3,(H2,15,17)(H,16,18)
InChIKey
KQFSLSHCXZRAJU-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethylhexyl] N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.180876 169.7
[M+Na]+ 307.162818 174.7
[M-H]- 283.166324 167.8
[M+NH4]+ 302.207423 182.8
[M+K]+ 323.136758 173.8
[M+H-H2O]+ 267.170860 157.4
[M+HCOO]- 329.171801 184.7
[M+CH3COO]- 343.187451 210.7
[M+Na-2H]- 305.148266 169.8
[M]+ 284.17305142 167.2
[M]- 284.17414858 167.2
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.