CID 213076

25462-16-2

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

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

InChI

InChI=1S/C10H21NO3/c1-4-6-10(3,7-12)8-14-9(13)11-5-2/h12H,4-8H2,1-3H3,(H,11,13)

InChIKey

MZCKIUBNVPGFPZ-UHFFFAOYSA-N

Compound name

[2-(hydroxymethyl)-2-methylpentyl] N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.15215 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]+	204.15943	149.9
[M+Na]+	226.14137	154.8
[M-H]-	202.14487	148.4
[M+NH4]+	221.18597	168.3
[M+K]+	242.11531	154.2
[M+H-H2O]+	186.14941	144.9
[M+HCOO]-	248.15035	170.3
[M+CH3COO]-	262.16600	186.3
[M+Na-2H]-	224.12682	154.1
[M]+	203.15160	152.3
[M]-	203.15270	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe