CID 234366

N,n-dipropyl-2-octyn-1-amine

Structural Information

Molecular Formula
C14H27N
SMILES
CCCCCC#CCN(CCC)CCC
InChI
InChI=1S/C14H27N/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3/h4-9,12-14H2,1-3H3
InChIKey
ZAXKUQXMGGOXPF-UHFFFAOYSA-N
Compound name
N,N-dipropyloct-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.21436 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.22164 152.8
[M+Na]+ 232.20358 162.0
[M+NH4]+ 227.24818 157.0
[M+K]+ 248.17752 151.6
[M-H]- 208.20708 145.8
[M+Na-2H]- 230.18903 153.4
[M]+ 209.21381 151.2
[M]- 209.21491 151.2
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.