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]+ 303.15508 169.9
[M+Na]+ 325.13702 173.2
[M-H]- 301.14052 169.5
[M+NH4]+ 320.18162 184.2
[M+K]+ 341.11096 174.5
[M+H-H2O]+ 285.14506 163.6
[M+HCOO]- 347.14600 190.3
[M+CH3COO]- 361.16165 206.7
[M+Na-2H]- 323.12247 170.4
[M]+ 302.14725 174.5
[M]- 302.14835 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.