CID 117191

25384-68-3

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₄

SMILES

CCC(C)(COC(=O)N)COC(=O)NCC

InChI

InChI=1S/C10H20N2O4/c1-4-10(3,6-15-8(11)13)7-16-9(14)12-5-2/h4-7H2,1-3H3,(H2,11,13)(H,12,14)

InChIKey

SPWCVDCYIJQRPF-UHFFFAOYSA-N

Compound name

[2-(carbamoyloxymethyl)-2-methylbutyl] N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.1423 Da
Monoisotopic Mass: 1.2
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]+	233.149576	154.7
[M+Na]+	255.131518	159.0
[M-H]-	231.135024	154.0
[M+NH4]+	250.176123	171.7
[M+K]+	271.105458	159.6
[M+H-H2O]+	215.139560	148.8
[M+HCOO]-	277.140501	176.4
[M+CH3COO]-	291.156151	194.8
[M+Na-2H]-	253.116966	157.4
[M]+	232.14175142	157.1
[M]-	232.14284858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.