CID 165994007

Methyl 6-oxospiro[2.3]hexane-4-carboxylate

Structural Information

Molecular Formula
C8H10O3
SMILES
COC(=O)C1CC(=O)C12CC2
InChI
InChI=1S/C8H10O3/c1-11-7(10)5-4-6(9)8(5)2-3-8/h5H,2-4H2,1H3
InChIKey
NJGWXYWBSMAYMX-UHFFFAOYSA-N
Compound name
methyl 6-oxospiro[2.3]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.2
[M+Na]+ 177.05221 139.2
[M-H]- 153.05571 137.4
[M+NH4]+ 172.09681 142.8
[M+K]+ 193.02615 141.1
[M+H-H2O]+ 137.06025 121.6
[M+HCOO]- 199.06119 151.5
[M+CH3COO]- 213.07684 182.0
[M+Na-2H]- 175.03766 136.2
[M]+ 154.06244 142.4
[M]- 154.06354 142.4
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

No patent data available for this compound.