CID 165946670

2703780-15-6

Structural Information

Molecular Formula
C11H16O4
SMILES
COC(=O)C1CC(C12CCCC2)C(=O)O
InChI
InChI=1S/C11H16O4/c1-15-10(14)8-6-7(9(12)13)11(8)4-2-3-5-11/h7-8H,2-6H2,1H3,(H,12,13)
InChIKey
VONSEHRZKUVEKT-UHFFFAOYSA-N
Compound name
3-methoxycarbonylspiro[3.4]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.0
[M+Na]+ 235.09408 150.1
[M-H]- 211.09758 150.0
[M+NH4]+ 230.13868 161.1
[M+K]+ 251.06802 152.0
[M+H-H2O]+ 195.10212 137.2
[M+HCOO]- 257.10306 163.4
[M+CH3COO]- 271.11871 185.6
[M+Na-2H]- 233.07953 146.8
[M]+ 212.10431 152.7
[M]- 212.10541 152.7
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

No patent data available for this compound.