CID 3065765

2-(methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride

Structural Information

Molecular Formula
C27H51NO
SMILES
CCCCCCCCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O
InChI
InChI=1S/C27H51NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26(29)21-27(28-2)24-17-22-16-23(19-24)20-25(27)18-22/h22-26,28-29H,3-21H2,1-2H3
InChIKey
MFBWZHARYVETFV-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)-2-adamantyl]hexadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

405.39706 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.40434 214.2
[M+Na]+ 428.38628 209.1
[M-H]- 404.38978 204.7
[M+NH4]+ 423.43088 230.8
[M+K]+ 444.36022 203.1
[M+H-H2O]+ 388.39432 206.2
[M+HCOO]- 450.39526 214.5
[M+CH3COO]- 464.41091 236.8
[M+Na-2H]- 426.37173 215.6
[M]+ 405.39651 216.4
[M]- 405.39761 216.4
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