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]+ 142.08626 126.1
[M+Na]+ 164.06820 134.1
[M-H]- 140.07170 128.3
[M+NH4]+ 159.11280 148.7
[M+K]+ 180.04214 134.5
[M+H-H2O]+ 124.07624 120.8
[M+HCOO]- 186.07718 145.7
[M+CH3COO]- 200.09283 172.0
[M+Na-2H]- 162.05365 134.2
[M]+ 141.07843 126.8
[M]- 141.07953 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.