CID 117263

25642-80-2

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)N(CC)CC
InChI
InChI=1S/C13H26N2O4/c1-5-8-13(4,9-18-11(14)16)10-19-12(17)15(6-2)7-3/h5-10H2,1-4H3,(H2,14,16)
InChIKey
PWGUBEJVBRMAQL-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 168.2
[M+Na]+ 297.178488 171.6
[M-H]- 273.181994 168.6
[M+NH4]+ 292.223093 184.3
[M+K]+ 313.152428 172.8
[M+H-H2O]+ 257.186530 161.7
[M+HCOO]- 319.187471 189.5
[M+CH3COO]- 333.203121 207.1
[M+Na-2H]- 295.163936 168.8
[M]+ 274.18872142 173.1
[M]- 274.18981858 173.1
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.