CID 117182

25384-35-4

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CCCC(C)(CO)COC(=O)NCC(=C)C

InChI

InChI=1S/C12H23NO3/c1-5-6-12(4,8-14)9-16-11(15)13-7-10(2)3/h14H,2,5-9H2,1,3-4H3,(H,13,15)

InChIKey

MMJRNJZURLUGLO-UHFFFAOYSA-N

Compound name

[2-(hydroxymethyl)-2-methylpentyl] N-(2-methylprop-2-enyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.1678 Da
Monoisotopic Mass: 2.6
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]+	230.175076	157.6
[M+Na]+	252.157018	161.7
[M-H]-	228.160524	155.8
[M+NH4]+	247.201623	174.8
[M+K]+	268.130958	160.6
[M+H-H2O]+	212.165060	152.4
[M+HCOO]-	274.166001	176.6
[M+CH3COO]-	288.181651	192.3
[M+Na-2H]-	250.142466	159.5
[M]+	229.16725142	159.4
[M]-	229.16834858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.