CID 137698885

Methyl 6-oxospiro[2.5]octane-5-carboxylate

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)C1CC2(CCC1=O)CC2
InChI
InChI=1S/C10H14O3/c1-13-9(12)7-6-10(4-5-10)3-2-8(7)11/h7H,2-6H2,1H3
InChIKey
BFCRZRFICHHRGV-UHFFFAOYSA-N
Compound name
methyl 6-oxospiro[2.5]octane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 141.3
[M+Na]+ 205.08352 149.7
[M-H]- 181.08702 147.8
[M+NH4]+ 200.12812 158.6
[M+K]+ 221.05746 148.6
[M+H-H2O]+ 165.09156 136.3
[M+HCOO]- 227.09250 161.0
[M+CH3COO]- 241.10815 182.9
[M+Na-2H]- 203.06897 146.1
[M]+ 182.09375 142.3
[M]- 182.09485 142.3
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.