CID 12349

628-65-9

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CCOCCOC(=O)N

InChI

InChI=1S/C5H11NO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H2,6,7)

InChIKey

SUTGPOOOBVWLON-UHFFFAOYSA-N

Compound name

2-ethoxyethyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 133.0739 Da
Monoisotopic Mass: -0.2
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]+	134.08118	126.6
[M+Na]+	156.06312	133.4
[M-H]-	132.06662	126.5
[M+NH4]+	151.10772	148.0
[M+K]+	172.03706	134.3
[M+H-H2O]+	116.07116	121.5
[M+HCOO]-	178.07210	151.0
[M+CH3COO]-	192.08775	173.5
[M+Na-2H]-	154.04857	132.0
[M]+	133.07335	128.5
[M]-	133.07445	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe