CID 3065775

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

Structural Information

Molecular Formula
C23H43NO
SMILES
CCCCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O
InChI
InChI=1S/C23H43NO/c1-3-4-5-6-7-8-9-10-11-22(25)17-23(24-2)20-13-18-12-19(15-20)16-21(23)14-18/h18-22,24-25H,3-17H2,1-2H3
InChIKey
UQJPNAFWBRZXPC-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)-2-adamantyl]dodecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.33447 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.34175 196.9
[M+Na]+ 372.32369 193.6
[M-H]- 348.32719 188.3
[M+NH4]+ 367.36829 215.9
[M+K]+ 388.29763 188.4
[M+H-H2O]+ 332.33173 189.6
[M+HCOO]- 394.33267 198.6
[M+CH3COO]- 408.34832 225.6
[M+Na-2H]- 370.30914 200.4
[M]+ 349.33392 198.0
[M]- 349.33502 198.0
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.