CID 3527029

Tricyclo[3.3.1.1~3,7~]decan-1-ol, 3-(2-aminoethyl)-, conjugate acid

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]+ 196.169586 148.6
[M+Na]+ 218.151528 151.3
[M-H]- 194.155034 142.4
[M+NH4]+ 213.196133 175.6
[M+K]+ 234.125468 147.3
[M+H-H2O]+ 178.159570 142.8
[M+HCOO]- 240.160511 155.0
[M+CH3COO]- 254.176161 157.0
[M+Na-2H]- 216.136976 159.8
[M]+ 195.16176142 146.6
[M]- 195.16285858 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