CID 412941

4-(2-propyn-1-yl)morpholine

Structural Information

Molecular Formula
C7H11NO
SMILES
C#CCN1CCOCC1
InChI
InChI=1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2
InChIKey
OKDZHAQIKCVKFE-UHFFFAOYSA-N
Compound name
4-prop-2-ynylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1006
Patents

125.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 120.3
[M+Na]+ 148.07328 128.4
[M-H]- 124.07678 120.9
[M+NH4]+ 143.11788 137.4
[M+K]+ 164.04722 127.0
[M+H-H2O]+ 108.08132 108.0
[M+HCOO]- 170.08226 134.1
[M+CH3COO]- 184.09791 178.7
[M+Na-2H]- 146.05873 127.2
[M]+ 125.08351 112.2
[M]- 125.08461 112.2
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