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

50
Patents

204.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 143.3
[M+Na]+ 227.079088 149.3
[M-H]- 203.082594 150.0
[M+NH4]+ 222.123693 159.5
[M+K]+ 243.053028 148.2
[M+H-H2O]+ 187.087130 134.8
[M+HCOO]- 249.088071 165.5
[M+CH3COO]- 263.103721 187.0
[M+Na-2H]- 225.064536 150.9
[M]+ 204.08932142 141.0
[M]- 204.09041858 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe