CID 5276207

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

Structural Information

Molecular Formula
C12H22N2
SMILES
C1C2CC3(CC1CC(C2)(C3)N)CCN
InChI
InChI=1S/C12H22N2/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,13-14H2
InChIKey
XENMFXBCPUVTSH-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.1783 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.18558 147.2
[M+Na]+ 217.16752 149.7
[M-H]- 193.17102 141.7
[M+NH4]+ 212.21212 174.4
[M+K]+ 233.14146 145.9
[M+H-H2O]+ 177.17556 141.2
[M+HCOO]- 239.17650 155.3
[M+CH3COO]- 253.19215 155.7
[M+Na-2H]- 215.15297 158.3
[M]+ 194.17775 144.0
[M]- 194.17885 144.0
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

No patent data available for this compound.