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 177.9
[M+Na]+ 339.18905 179.8
[M-H]- 315.19255 177.2
[M+NH4]+ 334.23365 197.0
[M+K]+ 355.16299 181.3
[M+H-H2O]+ 299.19709 171.5
[M+HCOO]- 361.19803 196.2
[M+CH3COO]- 375.21368 213.6
[M+Na-2H]- 337.17450 175.9
[M]+ 316.19928 182.0
[M]- 316.20038 182.0
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.