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]+ 210.221636 151.1
[M+Na]+ 232.203578 157.3
[M-H]- 208.207084 151.0
[M+NH4]+ 227.248183 168.7
[M+K]+ 248.177518 155.2
[M+H-H2O]+ 192.211620 139.2
[M+HCOO]- 254.212561 168.5
[M+CH3COO]- 268.228211 203.3
[M+Na-2H]- 230.189026 153.4
[M]+ 209.21381142 149.6
[M]- 209.21490858 149.6
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.