CID 2850248

56916-88-2

Structural Information

Molecular Formula
C18H25NO
SMILES
COC1=CC=CC(=C1)CNC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H25NO/c1-20-17-4-2-3-13(8-17)12-19-18-9-14-5-15(10-18)7-16(6-14)11-18/h2-4,8,14-16,19H,5-7,9-12H2,1H3
InChIKey
SANRRHHXBTYEIV-UHFFFAOYSA-N
Compound name
N-[(3-methoxyphenyl)methyl]adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

271.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 161.8
[M+Na]+ 294.18282 162.8
[M-H]- 270.18632 159.8
[M+NH4]+ 289.22742 184.4
[M+K]+ 310.15676 158.5
[M+H-H2O]+ 254.19086 153.2
[M+HCOO]- 316.19180 169.8
[M+CH3COO]- 330.20745 169.5
[M+Na-2H]- 292.16827 172.2
[M]+ 271.19305 161.6
[M]- 271.19415 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.