CID 32322

Lorbamate

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CCCC(C)(COC(=O)N)COC(=O)NC1CC1

InChI

InChI=1S/C12H22N2O4/c1-3-6-12(2,7-17-10(13)15)8-18-11(16)14-9-4-5-9/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,16)

InChIKey

PTEUWWFEEPASRM-UHFFFAOYSA-N

Compound name

[2-(carbamoyloxymethyl)-2-methylpentyl] N-cyclopropylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 445
Patents: 258.15796 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.165236	158.6
[M+Na]+	281.147178	164.2
[M-H]-	257.150684	162.0
[M+NH4]+	276.191783	170.0
[M+K]+	297.121118	162.0
[M+H-H2O]+	241.155220	152.2
[M+HCOO]-	303.156161	180.1
[M+CH3COO]-	317.171811	201.7
[M+Na-2H]-	279.132626	161.4
[M]+	258.15741142	163.3
[M]-	258.15850858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe