CID 3010136

N-(1-adamantylmethyl)cyclohexanamine

Structural Information

Molecular Formula
C17H29N
SMILES
C1CCC(CC1)NCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H29N/c1-2-4-16(5-3-1)18-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-16,18H,1-12H2
InChIKey
NOMGKNQBWMBPLH-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.23 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23728 155.9
[M+Na]+ 270.21922 153.7
[M-H]- 246.22272 152.5
[M+NH4]+ 265.26382 178.9
[M+K]+ 286.19316 149.2
[M+H-H2O]+ 230.22726 147.3
[M+HCOO]- 292.22820 159.9
[M+CH3COO]- 306.24385 162.2
[M+Na-2H]- 268.20467 164.2
[M]+ 247.22945 149.3
[M]- 247.23055 149.3
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.