CID 2848038

2-[1-adamantyl(methyl)amino]ethanol

Structural Information

Molecular Formula
C13H23NO
SMILES
CN(CCO)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H23NO/c1-14(2-3-15)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,2-9H2,1H3
InChIKey
PBIKYLZCOFBUBV-UHFFFAOYSA-N
Compound name
2-[1-adamantyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

209.17796 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 150.7
[M+Na]+ 232.16718 151.5
[M-H]- 208.17068 145.7
[M+NH4]+ 227.21178 176.0
[M+K]+ 248.14112 149.2
[M+H-H2O]+ 192.17522 144.7
[M+HCOO]- 254.17616 157.8
[M+CH3COO]- 268.19181 159.0
[M+Na-2H]- 230.15263 160.8
[M]+ 209.17741 150.4
[M]- 209.17851 150.4
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