CID 42630

Brn 5932496

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

CCOC(=O)NCN1CCOCC1

InChI

InChI=1S/C8H16N2O3/c1-2-13-8(11)9-7-10-3-5-12-6-4-10/h2-7H2,1H3,(H,9,11)

InChIKey

LFBJNHCQHSVJFB-UHFFFAOYSA-N

Compound name

ethyl N-(morpholin-4-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.11609 Da
Monoisotopic Mass: 0.1
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]+	189.123366	142.3
[M+Na]+	211.105308	146.2
[M-H]-	187.108814	144.0
[M+NH4]+	206.149913	158.6
[M+K]+	227.079248	147.4
[M+H-H2O]+	171.113350	135.0
[M+HCOO]-	233.114291	161.5
[M+CH3COO]-	247.129941	181.6
[M+Na-2H]-	209.090756	148.0
[M]+	188.11554142	140.7
[M]-	188.11663858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe