CID 213181

25648-99-1

Structural Information

Molecular Formula
C16H32N2O4
SMILES
CCCC(C)(CN(CCC)C(=O)O)COC(=O)N(CC)CC
InChI
InChI=1S/C16H32N2O4/c1-6-10-16(5,12-18(11-7-2)14(19)20)13-22-15(21)17(8-3)9-4/h6-13H2,1-5H3,(H,19,20)
InChIKey
FEZQDGZYLUNFRF-UHFFFAOYSA-N
Compound name
[2-(diethylcarbamoyloxymethyl)-2-methylpentyl]-propylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24348 181.6
[M+Na]+ 339.22542 183.5
[M-H]- 315.22892 182.0
[M+NH4]+ 334.27002 196.2
[M+K]+ 355.19936 184.9
[M+H-H2O]+ 299.23346 174.8
[M+HCOO]- 361.23440 201.6
[M+CH3COO]- 375.25005 217.6
[M+Na-2H]- 337.21087 180.5
[M]+ 316.23565 188.0
[M]- 316.23675 188.0
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.