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]+ 232.16959 157.2
[M+Na]+ 254.15153 167.6
[M+NH4]+ 249.19613 161.3
[M+K]+ 270.12547 158.2
[M-H]- 230.15503 151.0
[M+Na-2H]- 252.13698 160.1
[M]+ 231.16176 156.1
[M]- 231.16286 156.1
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.