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 129.6
[M+Na]+ 177.08860 133.8
[M-H]- 153.09210 132.0
[M+NH4]+ 172.13320 144.3
[M+K]+ 193.06254 135.4
[M+H-H2O]+ 137.09664 119.8
[M+HCOO]- 199.09758 146.1
[M+CH3COO]- 213.11323 178.2
[M+Na-2H]- 175.07405 133.9
[M]+ 154.09883 133.8
[M]- 154.09993 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.