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 160.1
[M+Na]+ 254.15153 167.1
[M-H]- 230.15503 161.4
[M+NH4]+ 249.19613 175.6
[M+K]+ 270.12547 163.1
[M+H-H2O]+ 214.15957 147.7
[M+HCOO]- 276.16051 175.7
[M+CH3COO]- 290.17616 202.4
[M+Na-2H]- 252.13698 163.4
[M]+ 231.16176 155.4
[M]- 231.16286 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.