CID 117260

Brn 3053048

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCCCC(C)(COC(=O)N)COC(=O)N(C)C
InChI
InChI=1S/C12H24N2O4/c1-5-6-7-12(2,8-17-10(13)15)9-18-11(16)14(3)4/h5-9H2,1-4H3,(H2,13,15)
InChIKey
ODPSQUCKFGXZLL-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylhexyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.180876 163.6
[M+Na]+ 283.162818 167.4
[M-H]- 259.166324 164.1
[M+NH4]+ 278.207423 180.2
[M+K]+ 299.136758 168.8
[M+H-H2O]+ 243.170860 157.3
[M+HCOO]- 305.171801 185.2
[M+CH3COO]- 319.187451 204.2
[M+Na-2H]- 281.148266 164.7
[M]+ 260.17305142 168.1
[M]- 260.17414858 168.1
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.