CID 3065767

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

Structural Information

Molecular Formula
C31H59NO
SMILES
CCCCCCCCCCCCCCCCCCC(CC1(C2CC3CC(C2)CC1C3)NC)O
InChI
InChI=1S/C31H59NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(33)25-31(32-2)28-21-26-20-27(23-28)24-29(31)22-26/h26-30,32-33H,3-25H2,1-2H3
InChIKey
FCIDBDNLJGDWCK-UHFFFAOYSA-N
Compound name
1-[2-(methylamino)-2-adamantyl]icosan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

461.45966 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.46694 231.2
[M+Na]+ 484.44888 224.2
[M-H]- 460.45238 220.7
[M+NH4]+ 479.49348 245.4
[M+K]+ 500.42282 217.4
[M+H-H2O]+ 444.45692 222.4
[M+HCOO]- 506.45786 229.9
[M+CH3COO]- 520.47351 247.8
[M+Na-2H]- 482.43433 230.5
[M]+ 461.45911 234.5
[M]- 461.46021 234.5
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