CID 70700750

7-oxa-4-azaspiro[2.5]octan-5-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC12COCC(=O)N2
InChI
InChI=1S/C6H9NO2/c8-5-3-9-4-6(7-5)1-2-6/h1-4H2,(H,7,8)
InChIKey
MRQICWAEJUUHEU-UHFFFAOYSA-N
Compound name
7-oxa-4-azaspiro[2.5]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 129.2
[M+Na]+ 150.05255 138.1
[M-H]- 126.05605 133.7
[M+NH4]+ 145.09715 145.2
[M+K]+ 166.02649 137.8
[M+H-H2O]+ 110.06059 123.3
[M+HCOO]- 172.06153 147.2
[M+CH3COO]- 186.07718 168.9
[M+Na-2H]- 148.03800 137.9
[M]+ 127.06278 127.6
[M]- 127.06388 127.6
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

patents stripe