CID 40724

8-(diethylamino)-3-methyl-4-octyn-3-ol hydrochloride

Structural Information

Molecular Formula
C13H25NO
SMILES
CCCC#CC(C)(CCN(CC)CC)O
InChI
InChI=1S/C13H25NO/c1-5-8-9-10-13(4,15)11-12-14(6-2)7-3/h15H,5-8,11-12H2,1-4H3
InChIKey
LKUJMJUWLLQRSU-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-methyloct-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.19362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.20090 154.2
[M+Na]+ 234.18284 160.6
[M-H]- 210.18634 153.3
[M+NH4]+ 229.22744 171.1
[M+K]+ 250.15678 158.9
[M+H-H2O]+ 194.19088 143.0
[M+HCOO]- 256.19182 169.3
[M+CH3COO]- 270.20747 200.2
[M+Na-2H]- 232.16829 156.6
[M]+ 211.19307 151.3
[M]- 211.19417 151.3
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.