CID 3065759

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

Structural Information

Molecular Formula
C29H55NO
SMILES
CCCCCCCCCCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O
InChI
InChI=1S/C29H55NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(31)23-29(30-2)26-19-24-18-25(21-26)22-27(29)20-24/h24-28,30-31H,3-23H2,1-2H3
InChIKey
YICBLJSKJRMGKH-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)-2-adamantyl]octadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

433.42838 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.43566 222.7
[M+Na]+ 456.41760 216.7
[M-H]- 432.42110 212.7
[M+NH4]+ 451.46220 238.1
[M+K]+ 472.39154 210.3
[M+H-H2O]+ 416.42564 214.3
[M+HCOO]- 478.42658 222.2
[M+CH3COO]- 492.44223 242.3
[M+Na-2H]- 454.40305 223.1
[M]+ 433.42783 225.5
[M]- 433.42893 225.5
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