CID 213174

Acetylcarbamic acid 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]+ 317.17070 174.2
[M+Na]+ 339.15264 176.8
[M-H]- 315.15614 173.7
[M+NH4]+ 334.19724 195.2
[M+K]+ 355.12658 178.5
[M+H-H2O]+ 299.16068 167.9
[M+HCOO]- 361.16162 192.4
[M+CH3COO]- 375.17727 210.6
[M+Na-2H]- 337.13809 173.0
[M]+ 316.16287 178.5
[M]- 316.16397 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.