CID 117215

25385-05-1

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CCCCC(C)(COC(=O)N)COC(=O)NCC#C
InChI
InChI=1S/C13H22N2O4/c1-4-6-7-13(3,9-18-11(14)16)10-19-12(17)15-8-5-2/h2H,4,6-10H2,1,3H3,(H2,14,16)(H,15,17)
InChIKey
OYMJHUCUQXLOTC-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylhexyl] N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 163.8
[M+Na]+ 293.14718 168.9
[M+NH4]+ 288.19178 164.3
[M+K]+ 309.12112 163.1
[M-H]- 269.15068 153.1
[M+Na-2H]- 291.13263 160.9
[M]+ 270.15741 160.1
[M]- 270.15851 160.1
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.