CID 213174

Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester

Structural Information

Molecular Formula
C14H24N2O6
SMILES
CCC(C)C(C)(COC(=O)NC(=O)C)COC(=O)NC(=O)C
InChI
InChI=1S/C14H24N2O6/c1-6-9(2)14(5,7-21-12(19)15-10(3)17)8-22-13(20)16-11(4)18/h9H,6-8H2,1-5H3,(H,15,17,19)(H,16,18,20)
InChIKey
SVWANSQXDBGPBS-UHFFFAOYSA-N
Compound name
[2-(acetylcarbamoyloxymethyl)-2,3-dimethylpentyl] N-acetylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.170696 174.2
[M+Na]+ 339.152638 176.8
[M-H]- 315.156144 173.7
[M+NH4]+ 334.197243 195.2
[M+K]+ 355.126578 178.5
[M+H-H2O]+ 299.160680 167.9
[M+HCOO]- 361.161621 192.4
[M+CH3COO]- 375.177271 210.6
[M+Na-2H]- 337.138086 173.0
[M]+ 316.16287142 178.5
[M]- 316.16396858 178.5
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.