CID 213169

Propionylcarbamic acid 2-methyl-2-propyltrimethylene ester

Structural Information

Molecular Formula
C15H26N2O6
SMILES
CCC(=O)NC(=O)OCC(C)C(C(C)C)OC(=O)NC(=O)CC
InChI
InChI=1S/C15H26N2O6/c1-6-11(18)16-14(20)22-8-10(5)13(9(3)4)23-15(21)17-12(19)7-2/h9-10,13H,6-8H2,1-5H3,(H,16,18,20)(H,17,19,21)
InChIKey
WLMFHKDJSUDVFG-UHFFFAOYSA-N
Compound name
[2,4-dimethyl-3-(propanoylcarbamoyloxy)pentyl] N-propanoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.186356 180.8
[M+Na]+ 353.168298 182.3
[M-H]- 329.171804 180.0
[M+NH4]+ 348.212903 204.3
[M+K]+ 369.142238 184.4
[M+H-H2O]+ 313.176340 173.9
[M+HCOO]- 375.177281 194.0
[M+CH3COO]- 389.192931 215.2
[M+Na-2H]- 351.153746 175.5
[M]+ 330.17853142 184.7
[M]- 330.17962858 184.7
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.