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

37
Patents

127.06333 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 117.8
[M+Na]+ 150.05255 123.9
[M-H]- 126.05605 121.5
[M+NH4]+ 145.09715 134.0
[M+K]+ 166.02649 126.6
[M+H-H2O]+ 110.06059 108.8
[M+HCOO]- 172.06153 136.5
[M+CH3COO]- 186.07718 168.1
[M+Na-2H]- 148.03800 125.3
[M]+ 127.06278 122.8
[M]- 127.06388 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