CID 117226

Brn 3055293

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]+ 285.18088 169.7
[M+Na]+ 307.16282 174.7
[M-H]- 283.16632 167.8
[M+NH4]+ 302.20742 182.8
[M+K]+ 323.13676 173.8
[M+H-H2O]+ 267.17086 157.4
[M+HCOO]- 329.17180 184.7
[M+CH3COO]- 343.18745 210.7
[M+Na-2H]- 305.14827 169.8
[M]+ 284.17305 167.2
[M]- 284.17415 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.