CID 64156

Ethanol, 2,2'-(1-adamantylimino)di-

Structural Information

Molecular Formula
C14H25NO2
SMILES
C1C2CC3CC1CC(C2)(C3)N(CCO)CCO
InChI
InChI=1S/C14H25NO2/c16-3-1-15(2-4-17)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,16-17H,1-10H2
InChIKey
ROQCVXISIDHPHZ-UHFFFAOYSA-N
Compound name
2-[1-adamantyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

239.18852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.19580 158.0
[M+Na]+ 262.17774 157.9
[M-H]- 238.18124 151.2
[M+NH4]+ 257.22234 181.3
[M+K]+ 278.15168 155.2
[M+H-H2O]+ 222.18578 152.1
[M+HCOO]- 284.18672 163.4
[M+CH3COO]- 298.20237 165.0
[M+Na-2H]- 260.16319 167.5
[M]+ 239.18797 157.8
[M]- 239.18907 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe