CID 246541

1,6-bis(morpholino)-2-hexyne

Structural Information

Molecular Formula
C14H24N2O2
SMILES
C1COCCN1CCCC#CCN2CCOCC2
InChI
InChI=1S/C14H24N2O2/c1(3-5-15-7-11-17-12-8-15)2-4-6-16-9-13-18-14-10-16/h1,3,5-14H2
InChIKey
FIALESPCDPVGAZ-UHFFFAOYSA-N
Compound name
4-(6-morpholin-4-ylhex-2-ynyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

252.18378 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 151.3
[M+Na]+ 275.17300 155.4
[M-H]- 251.17650 151.4
[M+NH4]+ 270.21760 160.6
[M+K]+ 291.14694 152.8
[M+H-H2O]+ 235.18104 135.6
[M+HCOO]- 297.18198 158.4
[M+CH3COO]- 311.19763 197.9
[M+Na-2H]- 273.15845 154.6
[M]+ 252.18323 141.1
[M]- 252.18433 141.1
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.