CID 35994

Adamantane, 1-(2-dimethylaminoethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H25N
SMILES
CN(C)CCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H25N/c1-15(2)4-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,3-10H2,1-2H3
InChIKey
JJAHUWQWZKRQSJ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

207.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.20598 152.3
[M+Na]+ 230.18792 153.0
[M-H]- 206.19142 148.5
[M+NH4]+ 225.23252 178.3
[M+K]+ 246.16186 150.7
[M+H-H2O]+ 190.19596 145.6
[M+HCOO]- 252.19690 160.4
[M+CH3COO]- 266.21255 160.8
[M+Na-2H]- 228.17337 161.9
[M]+ 207.19815 152.4
[M]- 207.19925 152.4
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