CID 165739833

6-hydroxy-1-azaspiro[3.3]heptan-2-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1C(CC12CC(=O)N2)O
InChI
InChI=1S/C6H9NO2/c8-4-1-6(2-4)3-5(9)7-6/h4,8H,1-3H2,(H,7,9)
InChIKey
KWTOOEAOKQXNIN-UHFFFAOYSA-N
Compound name
6-hydroxy-1-azaspiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 119.4
[M+Na]+ 150.052548 124.7
[M-H]- 126.056054 121.5
[M+NH4]+ 145.097153 127.8
[M+K]+ 166.026488 128.4
[M+H-H2O]+ 110.060590 106.7
[M+HCOO]- 172.061531 135.3
[M+CH3COO]- 186.077181 179.3
[M+Na-2H]- 148.037996 125.7
[M]+ 127.06278142 132.1
[M]- 127.06387858 132.1
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.