CID 198044

Dl-3-hydroxy-6-methyl-3,4-dihydro-1,5-benzoxazocine

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=NCC(COC2=CC=CC=C12)O
InChI
InChI=1S/C11H13NO2/c1-8-10-4-2-3-5-11(10)14-7-9(13)6-12-8/h2-5,9,13H,6-7H2,1H3
InChIKey
BGEPNKVWVGTOLC-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 148.0
[M+Na]+ 214.083858 153.5
[M-H]- 190.087364 149.5
[M+NH4]+ 209.128463 156.0
[M+K]+ 230.057798 153.7
[M+H-H2O]+ 174.091900 144.1
[M+HCOO]- 236.092841 156.4
[M+CH3COO]- 250.108491 153.2
[M+Na-2H]- 212.069306 149.8
[M]+ 191.09409142 147.7
[M]- 191.09518858 147.7
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.