CID 118275502

1590372-46-5

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)C1CC12CCC(=O)CC2
InChI
InChI=1S/C10H14O3/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h8H,2-6H2,1H3
InChIKey
JKCQCZMYZXVEDY-UHFFFAOYSA-N
Compound name
methyl 6-oxospiro[2.5]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

182.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 142.6
[M+Na]+ 205.08352 154.3
[M+NH4]+ 200.12812 152.7
[M+K]+ 221.05746 148.7
[M-H]- 181.08702 151.2
[M+Na-2H]- 203.06897 150.7
[M]+ 182.09375 147.8
[M]- 182.09485 147.8
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