CID 170021

38263-56-8

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1C[C@@H]2[C@H](C[C@H]1O2)C(=O)O

InChI

InChI=1S/C7H10O3/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2,(H,8,9)/t4-,5-,6+/m0/s1

InChIKey

UYLYISCHTFVYHN-HCWXCVPCSA-N

Compound name

(1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 475
Patents: 142.06299 Da
Monoisotopic Mass: 0.4
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	127.4
[M+Na]+	165.05221	135.3
[M+NH4]+	160.09681	135.9
[M+K]+	181.02615	135.3
[M-H]-	141.05571	127.6
[M+Na-2H]-	163.03766	127.5
[M]+	142.06244	128.1
[M]-	142.06354	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe