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

literature stripe

Patent stripe

patents stripe