CID 115628

Brn 2129121

Structural Information

Molecular Formula
C15H30N2O4
SMILES
CCCC(C)(COC(=O)NCC(C)C)COC(=O)N(C)C
InChI
InChI=1S/C15H30N2O4/c1-7-8-15(4,11-21-14(19)17(5)6)10-20-13(18)16-9-12(2)3/h12H,7-11H2,1-6H3,(H,16,18)
InChIKey
NKIJDWIHUKJRGW-UHFFFAOYSA-N
Compound name
[2-methyl-2-(2-methylpropylcarbamoyloxymethyl)pentyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22055 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22783 177.2
[M+Na]+ 325.20977 179.6
[M-H]- 301.21327 177.9
[M+NH4]+ 320.25437 192.5
[M+K]+ 341.18371 181.3
[M+H-H2O]+ 285.21781 170.6
[M+HCOO]- 347.21875 197.5
[M+CH3COO]- 361.23440 213.9
[M+Na-2H]- 323.19522 176.7
[M]+ 302.22000 183.2
[M]- 302.22110 183.2
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.