CID 501679

5-[(e)-1-adamantyliminomethyl]-2-methoxy-phenol

Structural Information

Molecular Formula
C18H23NO2
SMILES
COC1=C(C=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C18H23NO2/c1-21-17-3-2-12(7-16(17)20)11-19-18-8-13-4-14(9-18)6-15(5-13)10-18/h2-3,7,11,13-15,20H,4-6,8-10H2,1H3
InChIKey
BGRYAYWVKUTWIK-UHFFFAOYSA-N
Compound name
5-(1-adamantyliminomethyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 164.4
[M+Na]+ 308.162098 166.5
[M-H]- 284.165604 162.8
[M+NH4]+ 303.206703 186.7
[M+K]+ 324.136038 162.4
[M+H-H2O]+ 268.170140 156.1
[M+HCOO]- 330.171081 172.6
[M+CH3COO]- 344.186731 172.4
[M+Na-2H]- 306.147546 174.5
[M]+ 285.17233142 165.3
[M]- 285.17342858 165.3
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.