CID 65584274

7-oxa-5-azaspiro[3.4]octan-6-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC2(C1)COC(=O)N2
InChI
InChI=1S/C6H9NO2/c8-5-7-6(4-9-5)2-1-3-6/h1-4H2,(H,7,8)
InChIKey
BURLJBVRDBLMMW-UHFFFAOYSA-N
Compound name
7-oxa-5-azaspiro[3.4]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

127.06333 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 117.8
[M+Na]+ 150.052548 123.9
[M-H]- 126.056054 121.5
[M+NH4]+ 145.097153 134.0
[M+K]+ 166.026488 126.6
[M+H-H2O]+ 110.060590 108.8
[M+HCOO]- 172.061531 136.5
[M+CH3COO]- 186.077181 168.1
[M+Na-2H]- 148.037996 125.3
[M]+ 127.06278142 122.8
[M]- 127.06387858 122.8
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

patents stripe