CID 64583

Oxphaman

Structural Information

Molecular Formula
C17H21NO2
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C17H21NO2/c19-15-1-2-16(20)14(6-15)10-18-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,10-13,19-20H,3-5,7-9H2
InChIKey
KSFHABYHDIUGKU-UHFFFAOYSA-N
Compound name
2-(1-adamantyliminomethyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 160.4
[M+Na]+ 294.14645 170.9
[M+NH4]+ 289.19105 173.0
[M+K]+ 310.12039 160.6
[M-H]- 270.14995 161.0
[M+Na-2H]- 292.13190 159.8
[M]+ 271.15668 162.2
[M]- 271.15778 162.2
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.