CID 117510

25462-33-3

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CCCCCCC(COC(=O)N)COC(=O)N
InChI
InChI=1S/C11H22N2O4/c1-2-3-4-5-6-9(7-16-10(12)14)8-17-11(13)15/h9H,2-8H2,1H3,(H2,12,14)(H2,13,15)
InChIKey
TWTOBQHCWWWHCI-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)octyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 159.3
[M+Na]+ 269.14718 163.8
[M+NH4]+ 264.19178 163.2
[M+K]+ 285.12112 161.4
[M-H]- 245.15068 156.4
[M+Na-2H]- 267.13263 158.3
[M]+ 246.15741 158.3
[M]- 246.15851 158.3
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.