CID 3054348

71151-34-3

Structural Information

Molecular Formula
C15H21NO
SMILES
CCN(CC)CC(CC1=CC=CC=C1)(C#C)O
InChI
InChI=1S/C15H21NO/c1-4-15(17,13-16(5-2)6-3)12-14-10-8-7-9-11-14/h1,7-11,17H,5-6,12-13H2,2-3H3
InChIKey
LJCIZXXLMJRTIA-UHFFFAOYSA-N
Compound name
2-benzyl-1-(diethylamino)but-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 160.1
[M+Na]+ 254.151528 167.1
[M-H]- 230.155034 161.4
[M+NH4]+ 249.196133 175.6
[M+K]+ 270.125468 163.1
[M+H-H2O]+ 214.159570 147.7
[M+HCOO]- 276.160511 175.7
[M+CH3COO]- 290.176161 202.4
[M+Na-2H]- 252.136976 163.4
[M]+ 231.16176142 155.4
[M]- 231.16285858 155.4
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.