CID 239192

6329-03-9

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

C1COCCN1CCOC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O3/c16-13(14-12-4-2-1-3-5-12)18-11-8-15-6-9-17-10-7-15/h1-5H,6-11H2,(H,14,16)

InChIKey

NIVHRRRPBOPZAX-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 14
Patents: 250.13174 Da
Monoisotopic Mass: 1.6
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]+	251.13902	157.1
[M+Na]+	273.12096	160.2
[M-H]-	249.12446	161.7
[M+NH4]+	268.16556	170.4
[M+K]+	289.09490	159.5
[M+H-H2O]+	233.12900	148.1
[M+HCOO]-	295.12994	176.2
[M+CH3COO]-	309.14559	192.5
[M+Na-2H]-	271.10641	162.8
[M]+	250.13119	154.7
[M]-	250.13229	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe