CID 3064628

Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-ethanol, 2,3,4,4a,5,6,7,11b-octahydro-, (e)-

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCCN2CCO
InChI
InChI=1S/C15H21NO2/c17-10-8-16-9-11-18-15-13-6-2-1-4-12(13)5-3-7-14(15)16/h1-2,4,6,14-15,17H,3,5,7-11H2/t14-,15-/m0/s1
InChIKey
WBMMUEREUTVEDA-GJZGRUSLSA-N
Compound name
2-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 153.3
[M+Na]+ 270.146448 157.2
[M-H]- 246.149954 156.6
[M+NH4]+ 265.191053 168.3
[M+K]+ 286.120388 157.9
[M+H-H2O]+ 230.154490 147.0
[M+HCOO]- 292.155431 166.3
[M+CH3COO]- 306.171081 163.1
[M+Na-2H]- 268.131896 159.1
[M]+ 247.15668142 147.1
[M]- 247.15777858 147.1
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.