CID 13043020

4-{[1-(prop-2-yn-1-yl)-1h-imidazol-2-yl]methyl}morpholine

Structural Information

Molecular Formula
C11H15N3O
SMILES
C#CCN1C=CN=C1CN2CCOCC2
InChI
InChI=1S/C11H15N3O/c1-2-4-14-5-3-12-11(14)10-13-6-8-15-9-7-13/h1,3,5H,4,6-10H2
InChIKey
BKWUGIBQOYBFCR-UHFFFAOYSA-N
Compound name
4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 139.4
[M+Na]+ 228.11072 147.5
[M-H]- 204.11422 138.8
[M+NH4]+ 223.15532 152.1
[M+K]+ 244.08466 144.0
[M+H-H2O]+ 188.11876 123.5
[M+HCOO]- 250.11970 150.9
[M+CH3COO]- 264.13535 148.9
[M+Na-2H]- 226.09617 142.5
[M]+ 205.12095 131.6
[M]- 205.12205 131.6
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

No patent data available for this compound.