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

15
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

literature stripe

Patent stripe

patents stripe