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]+ 213.112136 146.0
[M+Na]+ 235.094078 150.1
[M-H]- 211.097584 150.0
[M+NH4]+ 230.138683 161.1
[M+K]+ 251.068018 152.0
[M+H-H2O]+ 195.102120 137.2
[M+HCOO]- 257.103061 163.4
[M+CH3COO]- 271.118711 185.6
[M+Na-2H]- 233.079526 146.8
[M]+ 212.10431142 152.7
[M]- 212.10540858 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.