CID 66851680

2-oxatricyclo[3.3.1.13,7]decane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
C1C2CC3CC1CC(C2)(O3)C(=O)O
InChI
InChI=1S/C10H14O3/c11-9(12)10-4-6-1-7(5-10)3-8(2-6)13-10/h6-8H,1-5H2,(H,11,12)
InChIKey
SDGBFSSBRFDOKB-UHFFFAOYSA-N
Compound name
2-oxatricyclo[3.3.1.13,7]decane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

182.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 137.8
[M+Na]+ 205.083518 140.7
[M-H]- 181.087024 133.0
[M+NH4]+ 200.128123 162.6
[M+K]+ 221.057458 139.8
[M+H-H2O]+ 165.091560 132.7
[M+HCOO]- 227.092501 143.3
[M+CH3COO]- 241.108151 147.4
[M+Na-2H]- 203.068966 149.9
[M]+ 182.09375142 138.6
[M]- 182.09484858 138.6
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