CID 117224

Brn 3052980

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCCCC(CC)(COC(=O)N)COC(=O)NC
InChI
InChI=1S/C12H24N2O4/c1-4-6-7-12(5-2,8-17-10(13)15)9-18-11(16)14-3/h4-9H2,1-3H3,(H2,13,15)(H,14,16)
InChIKey
ATHNPVQWHCXXBZ-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethylhexyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18088 163.8
[M+Na]+ 283.16282 167.3
[M-H]- 259.16632 162.8
[M+NH4]+ 278.20742 179.7
[M+K]+ 299.13676 167.4
[M+H-H2O]+ 243.17086 157.5
[M+HCOO]- 305.17180 184.9
[M+CH3COO]- 319.18745 200.8
[M+Na-2H]- 281.14827 165.5
[M]+ 260.17305 166.9
[M]- 260.17415 166.9
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.