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]+ 155.106656 129.6
[M+Na]+ 177.088598 133.8
[M-H]- 153.092104 132.0
[M+NH4]+ 172.133203 144.3
[M+K]+ 193.062538 135.4
[M+H-H2O]+ 137.096640 119.8
[M+HCOO]- 199.097581 146.1
[M+CH3COO]- 213.113231 178.2
[M+Na-2H]- 175.074046 133.9
[M]+ 154.09883142 133.8
[M]- 154.09992858 133.8
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

No patent data available for this compound.