CID 97007620

2408936-87-6

Structural Information

Molecular Formula
C5H9NO
SMILES
C1[C@H]2COC[C@H]2N1
InChI
InChI=1S/C5H9NO/c1-4-2-7-3-5(4)6-1/h4-6H,1-3H2/t4-,5+/m0/s1
InChIKey
NWPXQVBUHZHSDK-CRCLSJGQSA-N
Compound name
(1R,5S)-3-oxa-6-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 111.0
[M+Na]+ 122.057628 117.0
[M-H]- 98.061134 113.2
[M+NH4]+ 117.102233 127.2
[M+K]+ 138.031568 120.0
[M+H-H2O]+ 82.065670 101.6
[M+HCOO]- 144.066611 129.5
[M+CH3COO]- 158.082261 165.7
[M+Na-2H]- 120.043076 119.0
[M]+ 99.06786142 116.6
[M]- 99.06895858 116.6
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.