CID 40724

53310-26-2

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]+ 212.200896 154.2
[M+Na]+ 234.182838 160.6
[M-H]- 210.186344 153.3
[M+NH4]+ 229.227443 171.1
[M+K]+ 250.156778 158.9
[M+H-H2O]+ 194.190880 143.0
[M+HCOO]- 256.191821 169.3
[M+CH3COO]- 270.207471 200.2
[M+Na-2H]- 232.168286 156.6
[M]+ 211.19307142 151.3
[M]- 211.19416858 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.