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]+ 239.21179 153.6
[M+Na]+ 261.19373 158.3
[M-H]- 237.19723 154.2
[M+NH4]+ 256.23833 167.0
[M+K]+ 277.16767 156.6
[M+H-H2O]+ 221.20177 139.4
[M+HCOO]- 283.20271 166.6
[M+CH3COO]- 297.21836 203.9
[M+Na-2H]- 259.17918 156.5
[M]+ 238.20396 147.9
[M]- 238.20506 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.