CID 53699179

1354360-11-4

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1C[C@@H]2[C@H]1CC(C2)C(=O)O

InChI

InChI=1S/C8H12O2/c9-8(10)7-3-5-1-2-6(5)4-7/h5-7H,1-4H2,(H,9,10)/t5-,6+,7?

InChIKey

BSRWDKBOIQWNBC-MEKDEQNOSA-N

Compound name

(1R,5S)-bicyclo[3.2.0]heptane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 140.08372 Da
Monoisotopic Mass: 1.6
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]+	141.09100	129.1
[M+Na]+	163.07294	133.5
[M+NH4]+	158.11754	133.8
[M+K]+	179.04688	132.5
[M-H]-	139.07644	126.6
[M+Na-2H]-	161.05839	129.0
[M]+	140.08317	127.5
[M]-	140.08427	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe