CID 115107

Pd 128907

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCCN1CCO[C@@H]2[C@@H]1COC3=C2C=C(C=C3)O
InChI
InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
InChIKey
YOILXOMTHPUMRG-JSGCOSHPSA-N
Compound name
(4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

141
References

97
Patents

249.13649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 156.3
[M+Na]+ 272.12571 162.7
[M-H]- 248.12921 159.4
[M+NH4]+ 267.17031 171.0
[M+K]+ 288.09965 161.4
[M+H-H2O]+ 232.13375 148.7
[M+HCOO]- 294.13469 168.9
[M+CH3COO]- 308.15034 167.0
[M+Na-2H]- 270.11116 162.9
[M]+ 249.13594 155.1
[M]- 249.13704 155.1
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

patents stripe