CID 212918

Carbamic acid, benzyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C16H24N2O4/c1-3-9-16(2,11-21-14(17)19)12-22-15(20)18-10-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,17,19)(H,18,20)
InChIKey
VUAHEQMBPKYXHB-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-benzylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 174.7
[M+Na]+ 331.162818 177.7
[M-H]- 307.166324 176.8
[M+NH4]+ 326.207423 188.3
[M+K]+ 347.136758 176.3
[M+H-H2O]+ 291.170860 167.0
[M+HCOO]- 353.171801 196.1
[M+CH3COO]- 367.187451 208.3
[M+Na-2H]- 329.148266 177.3
[M]+ 308.17305142 176.9
[M]- 308.17414858 176.9
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.