CID 3064618

(e)-2,3,4,4a,5,6,7,11b-octahydrobenzo(6,7)cyclohept(1,2-b)(1,4)oxazin-9-ol hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1C[C@H]2[C@H](C3=C(C1)C=C(C=C3)O)OCCN2
InChI
InChI=1S/C13H17NO2/c15-10-4-5-11-9(8-10)2-1-3-12-13(11)16-7-6-14-12/h4-5,8,12-15H,1-3,6-7H2/t12-,13-/m0/s1
InChIKey
ZGKIDZIIXGVOIQ-STQMWFEESA-N
Compound name
(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 144.8
[M+Na]+ 242.11515 149.2
[M-H]- 218.11865 147.3
[M+NH4]+ 237.15975 160.3
[M+K]+ 258.08909 149.6
[M+H-H2O]+ 202.12319 139.2
[M+HCOO]- 264.12413 157.1
[M+CH3COO]- 278.13978 154.9
[M+Na-2H]- 240.10060 151.4
[M]+ 219.12538 136.4
[M]- 219.12648 136.4
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.