CID 50403

69353-04-4

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CCCC(C)OCCOC(=O)N

InChI

InChI=1S/C8H17NO3/c1-3-4-7(2)11-5-6-12-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)

InChIKey

KHJDPFXCFSCSGT-UHFFFAOYSA-N

Compound name

2-pentan-2-yloxyethyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.12085 Da
Monoisotopic Mass: 1.1
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]+	176.12813	140.0
[M+Na]+	198.11007	147.5
[M+NH4]+	193.15467	146.1
[M+K]+	214.08401	143.9
[M-H]-	174.11357	138.3
[M+Na-2H]-	196.09552	141.6
[M]+	175.12030	140.1
[M]-	175.12140	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.