CID 22348363

4-(4-isocyanatophenyl)morpholine

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1COCCN1C2=CC=C(C=C2)N=C=O

InChI

InChI=1S/C11H12N2O2/c14-9-12-10-1-3-11(4-2-10)13-5-7-15-8-6-13/h1-4H,5-8H2

InChIKey

BJSOSHBGDPCFLO-UHFFFAOYSA-N

Compound name

4-(4-isocyanatophenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 204.08987 Da
Monoisotopic Mass: 2.2
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]+	205.09715	143.3
[M+Na]+	227.07909	149.3
[M-H]-	203.08259	150.0
[M+NH4]+	222.12369	159.5
[M+K]+	243.05303	148.2
[M+H-H2O]+	187.08713	134.8
[M+HCOO]-	249.08807	165.5
[M+CH3COO]-	263.10372	187.0
[M+Na-2H]-	225.06454	150.9
[M]+	204.08932	141.0
[M]-	204.09042	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe