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 160.1
[M+Na]+ 294.14645 162.4
[M-H]- 270.14995 157.4
[M+NH4]+ 289.19105 182.4
[M+K]+ 310.12039 157.8
[M+H-H2O]+ 254.15449 152.5
[M+HCOO]- 316.15543 167.3
[M+CH3COO]- 330.17108 167.9
[M+Na-2H]- 292.13190 170.5
[M]+ 271.15668 159.2
[M]- 271.15778 159.2
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

patents stripe