CID 155970837

Rac-(1r,5s)-2-methoxy-8-oxa-3-azabicyclo[3.2.1]oct-2-ene

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC1=NC[C@@H]2CC[C@H]1O2
InChI
InChI=1S/C7H11NO2/c1-9-7-6-3-2-5(10-6)4-8-7/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
JKNSZNWWTKGBGH-NTSWFWBYSA-N
Compound name
(1R,5S)-2-methoxy-8-oxa-3-azabicyclo[3.2.1]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 126.1
[M+Na]+ 164.068198 134.1
[M-H]- 140.071704 128.3
[M+NH4]+ 159.112803 148.7
[M+K]+ 180.042138 134.5
[M+H-H2O]+ 124.076240 120.8
[M+HCOO]- 186.077181 145.7
[M+CH3COO]- 200.092831 172.0
[M+Na-2H]- 162.053646 134.2
[M]+ 141.07843142 126.8
[M]- 141.07952858 126.8
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.