CID 3065761

Alpha-butyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride

Structural Information

Molecular Formula
C17H31NO
SMILES
CCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O
InChI
InChI=1S/C17H31NO/c1-3-4-5-16(19)11-17(18-2)14-7-12-6-13(9-14)10-15(17)8-12/h12-16,18-19H,3-11H2,1-2H3
InChIKey
LMTCWYOLDFVJRN-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)-2-adamantyl]hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.24057 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.24785 170.2
[M+Na]+ 288.22979 169.7
[M-H]- 264.23329 163.2
[M+NH4]+ 283.27439 192.8
[M+K]+ 304.20373 165.8
[M+H-H2O]+ 248.23783 164.1
[M+HCOO]- 310.23877 174.2
[M+CH3COO]- 324.25442 176.3
[M+Na-2H]- 286.21524 177.1
[M]+ 265.24002 169.7
[M]- 265.24112 169.7
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

patents stripe