CID 121149

Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester

Structural Information

Molecular Formula
C13H22N2O6
SMILES
CCCC(C)(COC(=O)NC(=O)C)COC(=O)NC(=O)C
InChI
InChI=1S/C13H22N2O6/c1-5-6-13(4,7-20-11(18)14-9(2)16)8-21-12(19)15-10(3)17/h5-8H2,1-4H3,(H,14,16,18)(H,15,17,19)
InChIKey
ZUEHRQNETQMIHD-UHFFFAOYSA-N
Compound name
[2-(acetylcarbamoyloxymethyl)-2-methylpentyl] N-acetylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1478 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.155076 169.9
[M+Na]+ 325.137018 173.2
[M-H]- 301.140524 169.5
[M+NH4]+ 320.181623 184.2
[M+K]+ 341.110958 174.5
[M+H-H2O]+ 285.145060 163.6
[M+HCOO]- 347.146001 190.3
[M+CH3COO]- 361.161651 206.7
[M+Na-2H]- 323.122466 170.4
[M]+ 302.14725142 174.5
[M]- 302.14834858 174.5
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.