CID 3527029

3-(2-aminoethyl)adamantan-1-ol

Structural Information

Molecular Formula
C12H21NO
SMILES
C1C2CC3(CC1CC(C2)(C3)O)CCN
InChI
InChI=1S/C12H21NO/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,1-8,13H2
InChIKey
MGJUIYJDXXKQJS-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)adamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

195.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 148.6
[M+Na]+ 218.15153 151.3
[M-H]- 194.15503 142.4
[M+NH4]+ 213.19613 175.6
[M+K]+ 234.12547 147.3
[M+H-H2O]+ 178.15957 142.8
[M+HCOO]- 240.16051 155.0
[M+CH3COO]- 254.17616 157.0
[M+Na-2H]- 216.13698 159.8
[M]+ 195.16176 146.6
[M]- 195.16286 146.6
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

patents stripe