CID 3041023

Cyclohexanol, 1-(5-(diethylamino)-1-pentynyl)-, hydrochloride

Structural Information

Molecular Formula
C15H27NO
SMILES
CCN(CC)CCCC#CC1(CCCCC1)O
InChI
InChI=1S/C15H27NO/c1-3-16(4-2)14-10-6-9-13-15(17)11-7-5-8-12-15/h17H,3-8,10-12,14H2,1-2H3
InChIKey
IPRLWTMSCKBSIH-UHFFFAOYSA-N
Compound name
1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.20926 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.21654 158.9
[M+Na]+ 260.19848 164.4
[M-H]- 236.20198 159.9
[M+NH4]+ 255.24308 176.2
[M+K]+ 276.17242 160.0
[M+H-H2O]+ 220.20652 147.4
[M+HCOO]- 282.20746 172.5
[M+CH3COO]- 296.22311 201.5
[M+Na-2H]- 258.18393 160.8
[M]+ 237.20871 151.4
[M]- 237.20981 151.4
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.