CID 18525762

4-(4-isocyanatopyridin-2-yl)morpholine

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1COCCN1C2=NC=CC(=C2)N=C=O
InChI
InChI=1S/C10H11N3O2/c14-8-12-9-1-2-11-10(7-9)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKey
LRVCWTODNVVIOK-UHFFFAOYSA-N
Compound name
4-(4-isocyanatopyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

205.08513 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 143.7
[M+Na]+ 228.07435 150.1
[M-H]- 204.07785 148.9
[M+NH4]+ 223.11895 158.4
[M+K]+ 244.04829 149.0
[M+H-H2O]+ 188.08239 134.3
[M+HCOO]- 250.08333 164.8
[M+CH3COO]- 264.09898 186.7
[M+Na-2H]- 226.05980 151.7
[M]+ 205.08458 141.5
[M]- 205.08568 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe