CID 50401

Carbamic acid, (2-(1-ethylpropoxy)ethyl) ester

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CCC(CC)OCCOC(=O)N

InChI

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

InChIKey

XHFZRZSXRMXSQJ-UHFFFAOYSA-N

Compound name

2-pentan-3-yloxyethyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	141.1
[M+Na]+	198.110068	146.5
[M-H]-	174.113574	140.6
[M+NH4]+	193.154673	160.8
[M+K]+	214.084008	147.1
[M+H-H2O]+	158.118110	135.6
[M+HCOO]-	220.119051	163.6
[M+CH3COO]-	234.134701	183.4
[M+Na-2H]-	196.095516	143.7
[M]+	175.12030142	143.6
[M]-	175.12139858	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.