CID 119097635

31865-21-1

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC(=O)N1CC2C(C1)O2
InChI
InChI=1S/C6H9NO2/c1-4(8)7-2-5-6(3-7)9-5/h5-6H,2-3H2,1H3
InChIKey
IKWPGVGGCWKMDB-UHFFFAOYSA-N
Compound name
1-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

127.06333 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 128.1
[M+Na]+ 150.052548 138.8
[M-H]- 126.056054 133.0
[M+NH4]+ 145.097153 145.7
[M+K]+ 166.026488 137.9
[M+H-H2O]+ 110.060590 122.3
[M+HCOO]- 172.061531 148.4
[M+CH3COO]- 186.077181 174.0
[M+Na-2H]- 148.037996 134.1
[M]+ 127.06278142 131.4
[M]- 127.06387858 131.4
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