CID 132344150

Rac-(1r,6r,7s)-bicyclo[4.2.0]octane-7-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC[C@H]2[C@@H](C1)C[C@H]2C(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h6-8H,1-5H2,(H,10,11)/t6-,7-,8+/m0/s1
InChIKey
KRNQNGDISVEUSB-BIIVOSGPSA-N
Compound name
(1S,6S,7R)-bicyclo[4.2.0]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 132.9
[M+Na]+ 177.08860 138.2
[M+NH4]+ 172.13320 137.8
[M+K]+ 193.06254 135.0
[M-H]- 153.09210 131.1
[M+Na-2H]- 175.07405 133.5
[M]+ 154.09883 131.7
[M]- 154.09993 131.7
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.

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No patent data available for this compound.