CID 246542

6-diethylamino-1-morpholino-2-hexyne

Structural Information

Molecular Formula
C14H26N2O
SMILES
CCN(CC)CCCC#CCN1CCOCC1
InChI
InChI=1S/C14H26N2O/c1-3-15(4-2)9-7-5-6-8-10-16-11-13-17-14-12-16/h3-5,7,9-14H2,1-2H3
InChIKey
SIBRDWDDSXUATG-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-morpholin-4-ylhex-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.20451 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.211786 153.6
[M+Na]+ 261.193728 158.3
[M-H]- 237.197234 154.2
[M+NH4]+ 256.238333 167.0
[M+K]+ 277.167668 156.6
[M+H-H2O]+ 221.201770 139.4
[M+HCOO]- 283.202711 166.6
[M+CH3COO]- 297.218361 203.9
[M+Na-2H]- 259.179176 156.5
[M]+ 238.20396142 147.9
[M]- 238.20505858 147.9
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.