CID 5276620

3-(2-aminoethyl)-5,7-dimethyl-adamantan-1-ol

Structural Information

Molecular Formula
C14H25NO
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)O)CCN)C
InChI
InChI=1S/C14H25NO/c1-11-5-12(2)7-13(6-11,3-4-15)10-14(16,8-11)9-12/h16H,3-10,15H2,1-2H3
InChIKey
OTBNPPAGBMNGSZ-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-5,7-dimethyladamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.19362 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.20090 159.7
[M+Na]+ 246.18284 164.2
[M-H]- 222.18634 153.9
[M+NH4]+ 241.22744 189.3
[M+K]+ 262.15678 159.4
[M+H-H2O]+ 206.19088 153.0
[M+HCOO]- 268.19182 165.1
[M+CH3COO]- 282.20747 167.9
[M+Na-2H]- 244.16829 171.2
[M]+ 223.19307 159.3
[M]- 223.19417 159.3
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.