CID 6447824

5-butoxy-n,n-diethyl-4-penten-2-yn-1-amine

Structural Information

Molecular Formula
C13H23NO
SMILES
CCCCO/C=C/C#CCN(CC)CC
InChI
InChI=1S/C13H23NO/c1-4-7-12-15-13-10-8-9-11-14(5-2)6-3/h10,13H,4-7,11-12H2,1-3H3/b13-10+
InChIKey
DWMVIUZDHBETNR-JLHYYAGUSA-N
Compound name
(E)-5-butoxy-N,N-diethylpent-4-en-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.17796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 149.5
[M+Na]+ 232.16718 156.4
[M-H]- 208.17068 149.6
[M+NH4]+ 227.21178 167.1
[M+K]+ 248.14112 154.4
[M+H-H2O]+ 192.17522 137.7
[M+HCOO]- 254.17616 167.6
[M+CH3COO]- 268.19181 200.9
[M+Na-2H]- 230.15263 152.2
[M]+ 209.17741 148.2
[M]- 209.17851 148.2
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.