CID 90235540

Rac-(4ar,7ar)-hexahydro-2h-furo[3,4-b][1,4]oxazine hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CO[C@H]2COC[C@@H]2N1
InChI
InChI=1S/C6H11NO2/c1-2-9-6-4-8-3-5(6)7-1/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKey
SZMLYSKHAGRUFH-WDSKDSINSA-N
Compound name
(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 124.0
[M+Na]+ 152.06820 129.6
[M-H]- 128.07170 126.0
[M+NH4]+ 147.11280 143.8
[M+K]+ 168.04214 130.5
[M+H-H2O]+ 112.07624 118.6
[M+HCOO]- 174.07718 140.1
[M+CH3COO]- 188.09283 136.8
[M+Na-2H]- 150.05365 131.5
[M]+ 129.07843 119.3
[M]- 129.07953 119.3
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

patents stripe