CID 6857913

6-octen-4-yn-2-ol, 1-(dimethylamino)-6-ethyl-, hydrochloride

Structural Information

Molecular Formula
C12H21NO
SMILES
CC/C(=C\C#CCC(CN(C)C)O)/C
InChI
InChI=1S/C12H21NO/c1-5-11(2)8-6-7-9-12(14)10-13(3)4/h8,12,14H,5,9-10H2,1-4H3/b11-8-
InChIKey
QJKJKTGVJFKCEX-FLIBITNWSA-N
Compound name
(Z)-1-(dimethylamino)-7-methylnon-6-en-4-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 149.8
[M+Na]+ 218.151528 156.2
[M-H]- 194.155034 148.9
[M+NH4]+ 213.196133 167.0
[M+K]+ 234.125468 154.5
[M+H-H2O]+ 178.159570 138.4
[M+HCOO]- 240.160511 164.9
[M+CH3COO]- 254.176161 197.3
[M+Na-2H]- 216.136976 149.8
[M]+ 195.16176142 145.1
[M]- 195.16285858 145.1
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.