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

25
Patents

182.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 137.8
[M+Na]+ 205.08352 140.7
[M-H]- 181.08702 133.0
[M+NH4]+ 200.12812 162.6
[M+K]+ 221.05746 139.8
[M+H-H2O]+ 165.09156 132.7
[M+HCOO]- 227.09250 143.3
[M+CH3COO]- 241.10815 147.4
[M+Na-2H]- 203.06897 149.9
[M]+ 182.09375 138.6
[M]- 182.09485 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