CID 437855

2-(1-adamantylamino)ethanol

Structural Information

Molecular Formula
C12H21NO
SMILES
C1C2CC3CC1CC(C2)(C3)NCCO
InChI
InChI=1S/C12H21NO/c14-2-1-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13-14H,1-8H2
InChIKey
CYDWIRQXNVCQBX-UHFFFAOYSA-N
Compound name
2-(1-adamantylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

195.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 145.0
[M+Na]+ 218.15153 146.4
[M-H]- 194.15503 138.9
[M+NH4]+ 213.19613 170.3
[M+K]+ 234.12547 143.0
[M+H-H2O]+ 178.15957 139.4
[M+HCOO]- 240.16051 152.2
[M+CH3COO]- 254.17616 153.3
[M+Na-2H]- 216.13698 156.6
[M]+ 195.16176 143.5
[M]- 195.16286 143.5
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

No patent data available for this compound.