CID 213175

Propionylcarbamic acid 2-sec-butyl-2-methyltrimethylene ester

Structural Information

Molecular Formula
C16H28N2O6
SMILES
CCC(C)C(C)(COC(=O)NC(=O)CC)COC(=O)NC(=O)CC
InChI
InChI=1S/C16H28N2O6/c1-6-11(4)16(5,9-23-14(21)17-12(19)7-2)10-24-15(22)18-13(20)8-3/h11H,6-10H2,1-5H3,(H,17,19,21)(H,18,20,22)
InChIKey
SBSJJTQFGARPQS-UHFFFAOYSA-N
Compound name
[2,3-dimethyl-2-(propanoylcarbamoyloxymethyl)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 183.4
[M+Na]+ 367.18395 185.2
[M-H]- 343.18745 182.5
[M+NH4]+ 362.22855 202.5
[M+K]+ 383.15789 186.4
[M+H-H2O]+ 327.19199 176.8
[M+HCOO]- 389.19293 199.0
[M+CH3COO]- 403.20858 216.5
[M+Na-2H]- 365.16940 181.2
[M]+ 344.19418 188.4
[M]- 344.19528 188.4
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.