CID 206419

Brn 2109270

Structural Information

Molecular Formula
C18H33NO
SMILES
CCN(CC)CC#CC[C@]1(C[C@@H](CC[C@H]1C(C)C)C)O
InChI
InChI=1S/C18H33NO/c1-6-19(7-2)13-9-8-12-18(20)14-16(5)10-11-17(18)15(3)4/h15-17,20H,6-7,10-14H2,1-5H3/t16-,17+,18-/m1/s1
InChIKey
OGLNWBXTRBZBNR-FGTMMUONSA-N
Compound name
(1S,2S,5R)-1-[4-(diethylamino)but-2-ynyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.25623 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.26351 169.6
[M+Na]+ 302.24545 175.3
[M-H]- 278.24895 170.9
[M+NH4]+ 297.29005 185.9
[M+K]+ 318.21939 171.0
[M+H-H2O]+ 262.25349 158.5
[M+HCOO]- 324.25443 181.4
[M+CH3COO]- 338.27008 212.4
[M+Na-2H]- 300.23090 167.9
[M]+ 279.25568 163.2
[M]- 279.25678 163.2
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.