CID 246674

1,6-bis(morpholino)-2,4-hexadiyne

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1COCCN1CC#CC#CCN2CCOCC2
InChI
InChI=1S/C14H20N2O2/c1(3-5-15-7-11-17-12-8-15)2-4-6-16-9-13-18-14-10-16/h5-14H2
InChIKey
ZNXWKPCOJLBLFJ-UHFFFAOYSA-N
Compound name
4-(6-morpholin-4-ylhexa-2,4-diynyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

43
Patents

248.15248 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 149.3
[M+Na]+ 271.14170 155.8
[M-H]- 247.14520 149.2
[M+NH4]+ 266.18630 156.1
[M+K]+ 287.11564 151.2
[M+H-H2O]+ 231.14974 132.0
[M+HCOO]- 293.15068 151.4
[M+CH3COO]- 307.16633 154.3
[M+Na-2H]- 269.12715 150.8
[M]+ 248.15193 136.9
[M]- 248.15303 136.9
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