CID 34035

6-methyl-3,4-dihydro-2h-naphth(1,2-b)-1,5-oxazocin-3-ol

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC1=NCC(COC2=C1C=CC3=CC=CC=C32)O
InChI
InChI=1S/C15H15NO2/c1-10-13-7-6-11-4-2-3-5-14(11)15(13)18-9-12(17)8-16-10/h2-7,12,17H,8-9H2,1H3
InChIKey
RTLHJYAAONADNA-UHFFFAOYSA-N
Compound name
11-methyl-16-oxa-12-azatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaen-14-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 158.0
[M+Na]+ 264.09950 163.6
[M-H]- 240.10300 159.8
[M+NH4]+ 259.14410 165.5
[M+K]+ 280.07344 162.9
[M+H-H2O]+ 224.10754 153.6
[M+HCOO]- 286.10848 165.5
[M+CH3COO]- 300.12413 162.6
[M+Na-2H]- 262.08495 159.3
[M]+ 241.10973 157.8
[M]- 241.11083 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.