CID 3010134

N-(1-adamantylmethyl)-1-cyclohexyl-methanamine

Structural Information

Molecular Formula
C18H31N
SMILES
C1CCC(CC1)CNCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H31N/c1-2-4-14(5-3-1)12-19-13-18-9-15-6-16(10-18)8-17(7-15)11-18/h14-17,19H,1-13H2
InChIKey
RHWMOGNQFCDUHC-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)-1-cyclohexylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.24564 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.25292 160.4
[M+Na]+ 284.23486 157.7
[M-H]- 260.23836 156.7
[M+NH4]+ 279.27946 182.7
[M+K]+ 300.20880 152.9
[M+H-H2O]+ 244.24290 151.5
[M+HCOO]- 306.24384 163.9
[M+CH3COO]- 320.25949 166.2
[M+Na-2H]- 282.22031 168.1
[M]+ 261.24509 153.9
[M]- 261.24619 153.9
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.