CID 512346

1-[2-(1-adamantyl)cyclopentyl]-n,n-dimethyl-methanamine

Structural Information

Molecular Formula
C18H31N
SMILES
CN(C)CC1CCCC1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H31N/c1-19(2)12-16-4-3-5-17(16)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-17H,3-12H2,1-2H3
InChIKey
XKJJRQJDCLTATA-UHFFFAOYSA-N
Compound name
1-[2-(1-adamantyl)cyclopentyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.24564 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.25292 163.8
[M+Na]+ 284.23486 163.0
[M-H]- 260.23836 162.2
[M+NH4]+ 279.27946 189.1
[M+K]+ 300.20880 159.1
[M+H-H2O]+ 244.24290 156.3
[M+HCOO]- 306.24384 169.9
[M+CH3COO]- 320.25949 171.2
[M+Na-2H]- 282.22031 168.1
[M]+ 261.24509 160.9
[M]- 261.24619 160.9
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.