CID 50407

Carbamic acid, (2-pentoxyethyl) ester

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CCCCCOCCOC(=O)N

InChI

InChI=1S/C8H17NO3/c1-2-3-4-5-11-6-7-12-8(9)10/h2-7H2,1H3,(H2,9,10)

InChIKey

ZJMVKDLBCRLKPT-UHFFFAOYSA-N

Compound name

2-pentoxyethyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.12085 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]+	176.12813	139.7
[M+Na]+	198.11007	147.5
[M+NH4]+	193.15467	145.9
[M+K]+	214.08401	143.1
[M-H]-	174.11357	138.2
[M+Na-2H]-	196.09552	141.6
[M]+	175.12030	139.9
[M]-	175.12140	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe