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]+ 196.16959 149.8
[M+Na]+ 218.15153 156.2
[M-H]- 194.15503 148.9
[M+NH4]+ 213.19613 167.0
[M+K]+ 234.12547 154.5
[M+H-H2O]+ 178.15957 138.4
[M+HCOO]- 240.16051 164.9
[M+CH3COO]- 254.17616 197.3
[M+Na-2H]- 216.13698 149.8
[M]+ 195.16176 145.1
[M]- 195.16286 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.