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: 3
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]+	176.128126	140.4
[M+Na]+	198.110068	146.0
[M-H]-	174.113574	139.8
[M+NH4]+	193.154673	160.1
[M+K]+	214.084008	146.1
[M+H-H2O]+	158.118110	134.8
[M+HCOO]-	220.119051	163.9
[M+CH3COO]-	234.134701	182.6
[M+Na-2H]-	196.095516	144.3
[M]+	175.12030142	143.5
[M]-	175.12139858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe