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 165.3
[M+Na]+ 256.20358 172.5
[M-H]- 232.20708 166.4
[M+NH4]+ 251.24818 177.5
[M+K]+ 272.17752 169.6
[M+H-H2O]+ 216.21162 151.3
[M+HCOO]- 278.21256 173.5
[M+CH3COO]- 292.22821 221.2
[M+Na-2H]- 254.18903 165.0
[M]+ 233.21381 159.3
[M]- 233.21491 159.3
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.