CID 213176

Propionylcarbamic acid 2-ethyl-2-propyltrimethylene ester

Structural Information

Molecular Formula
C16H28N2O6
SMILES
CCC(COC(=O)NC(=O)CC)C(C(C)C)OC(=O)NC(=O)CC
InChI
InChI=1S/C16H28N2O6/c1-6-11(9-23-15(21)17-12(19)7-2)14(10(4)5)24-16(22)18-13(20)8-3/h10-11,14H,6-9H2,1-5H3,(H,17,19,21)(H,18,20,22)
InChIKey
QXSLXBABKHUIOW-UHFFFAOYSA-N
Compound name
[2-ethyl-4-methyl-3-(propanoylcarbamoyloxy)pentyl] N-propanoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19473 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20201 185.4
[M+Na]+ 367.18395 186.5
[M-H]- 343.18745 184.5
[M+NH4]+ 362.22855 208.0
[M+K]+ 383.15789 188.3
[M+H-H2O]+ 327.19199 178.3
[M+HCOO]- 389.19293 197.3
[M+CH3COO]- 403.20858 218.2
[M+Na-2H]- 365.16940 179.6
[M]+ 344.19418 189.7
[M]- 344.19528 189.7
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.