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]+ 275.19655 168.2
[M+Na]+ 297.17849 171.6
[M-H]- 273.18199 168.6
[M+NH4]+ 292.22309 184.3
[M+K]+ 313.15243 172.8
[M+H-H2O]+ 257.18653 161.7
[M+HCOO]- 319.18747 189.5
[M+CH3COO]- 333.20312 207.1
[M+Na-2H]- 295.16394 168.8
[M]+ 274.18872 173.1
[M]- 274.18982 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.