CID 3010135

N-(1-adamantylmethyl)cyclopentanamine

Structural Information

Molecular Formula
C16H27N
SMILES
C1CCC(C1)NCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H27N/c1-2-4-15(3-1)17-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,17H,1-11H2
InChIKey
ZPULTYOIQNXJAN-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.21436 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 152.2
[M+Na]+ 256.20358 151.6
[M-H]- 232.20708 149.5
[M+NH4]+ 251.24818 177.9
[M+K]+ 272.17752 146.8
[M+H-H2O]+ 216.21162 145.0
[M+HCOO]- 278.21256 158.8
[M+CH3COO]- 292.22821 159.8
[M+Na-2H]- 254.18903 159.2
[M]+ 233.21381 147.6
[M]- 233.21491 147.6
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.