CID 22617113

2168525-36-6

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1CC2CC1C(O2)C(=O)O

InChI

InChI=1S/C7H10O3/c8-7(9)6-4-1-2-5(3-4)10-6/h4-6H,1-3H2,(H,8,9)

InChIKey

KRCHMJFNEXQNMX-UHFFFAOYSA-N

Compound name

2-oxabicyclo[2.2.1]heptane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 142.06299 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.07027	128.3
[M+Na]+	165.05221	135.5
[M-H]-	141.05571	130.5
[M+NH4]+	160.09681	152.8
[M+K]+	181.02615	135.5
[M+H-H2O]+	125.06025	125.2
[M+HCOO]-	187.06119	147.6
[M+CH3COO]-	201.07684	170.1
[M+Na-2H]-	163.03766	132.6
[M]+	142.06244	127.5
[M]-	142.06354	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe