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

3
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

literature stripe

Patent stripe

patents stripe