CID 18536

Benzyl alcohol, alpha-cyclopentyl-alpha-(3-(diethylamino)-1-propynyl)-, hydrochloride

Structural Information

Molecular Formula
C19H27NO
SMILES
CCN(CC)CC#CC(C1CCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C19H27NO/c1-3-20(4-2)16-10-15-19(21,18-13-8-9-14-18)17-11-6-5-7-12-17/h5-7,11-12,18,21H,3-4,8-9,13-14,16H2,1-2H3
InChIKey
KVFHDCLVCIXBDE-UHFFFAOYSA-N
Compound name
1-cyclopentyl-4-(diethylamino)-1-phenylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 173.7
[M+Na]+ 308.19848 182.6
[M+NH4]+ 303.24308 177.9
[M+K]+ 324.17242 174.1
[M-H]- 284.20198 168.6
[M+Na-2H]- 306.18393 175.9
[M]+ 285.20871 172.6
[M]- 285.20981 172.6
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.