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]+ 206.128776 139.4
[M+Na]+ 228.110718 147.5
[M-H]- 204.114224 138.8
[M+NH4]+ 223.155323 152.1
[M+K]+ 244.084658 144.0
[M+H-H2O]+ 188.118760 123.5
[M+HCOO]- 250.119701 150.9
[M+CH3COO]- 264.135351 148.9
[M+Na-2H]- 226.096166 142.5
[M]+ 205.12095142 131.6
[M]- 205.12204858 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.