CID 20266

Tybamate

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₄

SMILES

CCCCNC(=O)OCC(C)(CCC)COC(=O)N

InChI

InChI=1S/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)

InChIKey

PRBORDFJHHAISJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 13
References: 1853
Patents: 274.18927 Da
Monoisotopic Mass: 2.4
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]+	275.19655	168.3
[M+Na]+	297.17849	171.4
[M-H]-	273.18199	167.1
[M+NH4]+	292.22309	183.7
[M+K]+	313.15243	171.2
[M+H-H2O]+	257.18653	161.9
[M+HCOO]-	319.18747	189.0
[M+CH3COO]-	333.20312	203.8
[M+Na-2H]-	295.16394	169.6
[M]+	274.18872	171.9
[M]-	274.18982	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe