CID 246548

6-diethylamino-1-piperidino-2-hexyne

Structural Information

Molecular Formula
C15H28N2
SMILES
CCN(CC)CCCC#CCN1CCCCC1
InChI
InChI=1S/C15H28N2/c1-3-16(4-2)12-8-5-6-9-13-17-14-10-7-11-15-17/h3-5,7-8,10-15H2,1-2H3
InChIKey
JSMYVEANMICDFU-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-piperidin-1-ylhex-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.22525 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.23253 156.3
[M+Na]+ 259.21447 160.6
[M-H]- 235.21797 156.3
[M+NH4]+ 254.25907 170.9
[M+K]+ 275.18841 157.1
[M+H-H2O]+ 219.22251 142.3
[M+HCOO]- 281.22345 169.6
[M+CH3COO]- 295.23910 204.9
[M+Na-2H]- 257.19992 157.7
[M]+ 236.22470 149.1
[M]- 236.22580 149.1
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

patents stripe