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 165.9
[M+Na]+ 293.14718 171.2
[M-H]- 269.15068 164.1
[M+NH4]+ 288.19178 179.4
[M+K]+ 309.12112 170.6
[M+H-H2O]+ 253.15522 153.7
[M+HCOO]- 315.15616 181.1
[M+CH3COO]- 329.17181 208.0
[M+Na-2H]- 291.13263 166.4
[M]+ 270.15741 163.0
[M]- 270.15851 163.0
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.