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]+ 266.247846 170.2
[M+Na]+ 288.229788 169.7
[M-H]- 264.233294 163.2
[M+NH4]+ 283.274393 192.8
[M+K]+ 304.203728 165.8
[M+H-H2O]+ 248.237830 164.1
[M+HCOO]- 310.238771 174.2
[M+CH3COO]- 324.254421 176.3
[M+Na-2H]- 286.215236 177.1
[M]+ 265.24002142 169.7
[M]- 265.24111858 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