CID 117240

1,3-propanediol, 2-sec-butyl-2-ethyl-, dicarbamate

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CCC(C)C(CC)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C11H22N2O4/c1-4-8(3)11(5-2,6-16-9(12)14)7-17-10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)(H2,13,15)
InChIKey
GPTQBJOBBYXFDM-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethyl-3-methylpentyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 158.4
[M+Na]+ 269.14718 162.6
[M+NH4]+ 264.19178 162.0
[M+K]+ 285.12112 161.5
[M-H]- 245.15068 154.9
[M+Na-2H]- 267.13263 157.3
[M]+ 246.15741 157.2
[M]- 246.15851 157.2
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

patents stripe