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]+ 286.18016 164.4
[M+Na]+ 308.16210 166.5
[M-H]- 284.16560 162.8
[M+NH4]+ 303.20670 186.7
[M+K]+ 324.13604 162.4
[M+H-H2O]+ 268.17014 156.1
[M+HCOO]- 330.17108 172.6
[M+CH3COO]- 344.18673 172.4
[M+Na-2H]- 306.14755 174.5
[M]+ 285.17233 165.3
[M]- 285.17343 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.