CID 512344

Chembl321594

Structural Information

Molecular Formula
C16H27N
SMILES
CNC1(CCCC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H27N/c1-17-16(4-2-3-5-16)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,17H,2-11H2,1H3
InChIKey
BUEUCQLVZZJBNF-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-N-methylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.21436 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 154.4
[M+Na]+ 256.20358 155.2
[M-H]- 232.20708 152.1
[M+NH4]+ 251.24818 182.1
[M+K]+ 272.17752 150.1
[M+H-H2O]+ 216.21162 146.7
[M+HCOO]- 278.21256 160.9
[M+CH3COO]- 292.22821 162.4
[M+Na-2H]- 254.18903 162.0
[M]+ 233.21381 150.1
[M]- 233.21491 150.1
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.