CID 15633294

135922-85-9

Structural Information

Molecular Formula
C9H10O4
SMILES
C1C2C3C4C3(OC2C4CO1)C(=O)O
InChI
InChI=1S/C9H10O4/c10-8(11)9-5-3-1-12-2-4(6(5)9)7(3)13-9/h3-7H,1-2H2,(H,10,11)
InChIKey
GTTUKRXCHWFGCO-UHFFFAOYSA-N
Compound name
5,9-dioxatetracyclo[4.4.0.02,4.03,7]decane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 125.4
[M+Na]+ 205.047118 135.0
[M-H]- 181.050624 130.0
[M+NH4]+ 200.091723 148.3
[M+K]+ 221.021058 133.5
[M+H-H2O]+ 165.055160 124.0
[M+HCOO]- 227.056101 137.9
[M+CH3COO]- 241.071751 139.1
[M+Na-2H]- 203.032566 132.9
[M]+ 182.05735142 134.0
[M]- 182.05844858 134.0
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.