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 177.4
[M+Na]+ 308.19848 182.8
[M-H]- 284.20198 180.4
[M+NH4]+ 303.24308 192.1
[M+K]+ 324.17242 176.5
[M+H-H2O]+ 268.20652 163.9
[M+HCOO]- 330.20746 191.1
[M+CH3COO]- 344.22311 208.6
[M+Na-2H]- 306.18393 177.0
[M]+ 285.20871 169.5
[M]- 285.20981 169.5
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.