CID 117586

Brn 2993328

Structural Information

Molecular Formula
C14H24N2O6
SMILES
CCCC(CC)(COC(=O)NC(=O)C)COC(=O)NC(=O)C
InChI
InChI=1S/C14H24N2O6/c1-5-7-14(6-2,8-21-12(19)15-10(3)17)9-22-13(20)16-11(4)18/h5-9H2,1-4H3,(H,15,17,19)(H,16,18,20)
InChIKey
IHTKSVYIDWAIPB-UHFFFAOYSA-N
Compound name
[2-(acetylcarbamoyloxymethyl)-2-ethylpentyl] 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 174.5
[M+Na]+ 339.15264 177.3
[M-H]- 315.15614 173.9
[M+NH4]+ 334.19724 194.6
[M+K]+ 355.12658 178.4
[M+H-H2O]+ 299.16068 168.1
[M+HCOO]- 361.16162 195.8
[M+CH3COO]- 375.17727 209.7
[M+Na-2H]- 337.13809 174.5
[M]+ 316.16287 179.4
[M]- 316.16397 179.4
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.