CID 6438026

25658-39-3

Structural Information

Molecular Formula
C15H28N2O4
SMILES
CCCC(C)(COC(=O)NCC)COC(=O)NC/C=C/C
InChI
InChI=1S/C15H28N2O4/c1-5-8-10-17-14(19)21-12-15(4,9-6-2)11-20-13(18)16-7-3/h5,8H,6-7,9-12H2,1-4H3,(H,16,18)(H,17,19)/b8-5+
InChIKey
PFOHZZSOQLQDSR-VMPITWQZSA-N
Compound name
[2-(ethylcarbamoyloxymethyl)-2-methylpentyl] N-[(E)-but-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.2049 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21218 176.1
[M+Na]+ 323.19412 178.8
[M-H]- 299.19762 175.2
[M+NH4]+ 318.23872 190.8
[M+K]+ 339.16806 177.9
[M+H-H2O]+ 283.20216 169.4
[M+HCOO]- 345.20310 197.0
[M+CH3COO]- 359.21875 208.2
[M+Na-2H]- 321.17957 177.4
[M]+ 300.20435 180.6
[M]- 300.20545 180.6
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.