CID 86716581

Schembl14246937

Structural Information

Molecular Formula
C9H14O3
SMILES
COC(=O)C1CCCC2(C1)CO2
InChI
InChI=1S/C9H14O3/c1-11-8(10)7-3-2-4-9(5-7)6-12-9/h7H,2-6H2,1H3
InChIKey
KJTNRGNMEVBCCO-UHFFFAOYSA-N
Compound name
methyl 1-oxaspiro[2.5]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

170.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 138.1
[M+Na]+ 193.08352 145.9
[M-H]- 169.08702 145.1
[M+NH4]+ 188.12812 154.5
[M+K]+ 209.05746 146.9
[M+H-H2O]+ 153.09156 132.7
[M+HCOO]- 215.09250 157.0
[M+CH3COO]- 229.10815 179.7
[M+Na-2H]- 191.06897 145.0
[M]+ 170.09375 139.7
[M]- 170.09485 139.7
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