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]+ 248.16451 153.3
[M+Na]+ 270.14645 157.2
[M-H]- 246.14995 156.6
[M+NH4]+ 265.19105 168.3
[M+K]+ 286.12039 157.9
[M+H-H2O]+ 230.15449 147.0
[M+HCOO]- 292.15543 166.3
[M+CH3COO]- 306.17108 163.1
[M+Na-2H]- 268.13190 159.1
[M]+ 247.15668 147.1
[M]- 247.15778 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.