CID 40423

Adamantane, 1-(3-ethylaminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C15H27N
SMILES
CCNCCCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H27N/c1-2-16-5-3-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,16H,2-11H2,1H3
InChIKey
DRGIJXZUBIQAEB-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.21436 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.22164 155.8
[M+Na]+ 244.20358 156.1
[M-H]- 220.20708 150.4
[M+NH4]+ 239.24818 180.6
[M+K]+ 260.17752 152.2
[M+H-H2O]+ 204.21162 149.1
[M+HCOO]- 266.21256 163.1
[M+CH3COO]- 280.22821 163.4
[M+Na-2H]- 242.18903 165.7
[M]+ 221.21381 155.2
[M]- 221.21491 155.2
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

No patent data available for this compound.