CID 213179

Brn 3084073

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CCCC(C)(CCN(C)C(=O)O)COC(=O)NCCC
InChI
InChI=1S/C14H28N2O4/c1-5-7-14(3,8-10-16(4)13(18)19)11-20-12(17)15-9-6-2/h5-11H2,1-4H3,(H,15,17)(H,18,19)
InChIKey
UEBIWGWURCSTCN-UHFFFAOYSA-N
Compound name
methyl-[3-methyl-3-(propylcarbamoyloxymethyl)hexyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.2049 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 171.3
[M+Na]+ 311.19412 175.5
[M+NH4]+ 306.23872 174.8
[M+K]+ 327.16806 173.2
[M-H]- 287.19762 168.1
[M+Na-2H]- 309.17957 170.5
[M]+ 288.20435 170.3
[M]- 288.20545 170.3
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.