CID 47384

N,n-di-2-propynyl-4-propyl-4-heptanamine hydrochloride

Structural Information

Molecular Formula
C16H27N
SMILES
CCCC(CCC)(CCC)N(C#CC)C#CC
InChI
InChI=1S/C16H27N/c1-6-11-16(12-7-2,13-8-3)17(14-9-4)15-10-5/h6-8,11-13H2,1-5H3
InChIKey
OZFMCVAFLUEIMU-UHFFFAOYSA-N
Compound name
4-propyl-N,N-bis(prop-1-ynyl)heptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.21436 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 175.2
[M+Na]+ 256.20358 182.0
[M+NH4]+ 251.24818 175.2
[M+K]+ 272.17752 171.5
[M-H]- 232.20708 163.3
[M+Na-2H]- 254.18903 172.1
[M]+ 233.21381 171.5
[M]- 233.21491 171.5
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.