CID 213177

Brn 3061581

Structural Information

Molecular Formula
C15H28N2O5
SMILES
CCCC(C)(CN(C(=O)CC)C(=O)O)COC(=O)NC(C)C
InChI
InChI=1S/C15H28N2O5/c1-6-8-15(5,10-22-13(19)16-11(3)4)9-17(14(20)21)12(18)7-2/h11H,6-10H2,1-5H3,(H,16,19)(H,20,21)
InChIKey
BVNZMUMUOKCEIJ-UHFFFAOYSA-N
Compound name
[2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl]-propanoylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20711 176.4
[M+Na]+ 339.18905 179.3
[M+NH4]+ 334.23365 196.9
[M+K]+ 355.16299 178.9
[M-H]- 315.19255 171.9
[M+Na-2H]- 337.17450 174.2
[M]+ 316.19928 174.7
[M]- 316.20038 174.7
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.