CID 145874804

Rac-(1r,5r)-bicyclo[3.2.0]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1C[C@H]2[C@@H]1CCC2C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7-4-2-5-1-3-6(5)7/h5-7H,1-4H2,(H,9,10)/t5-,6-,7?/m0/s1
InChIKey
VWHAMUYEURGAJM-WABBHOIFSA-N
Compound name
(1S,5S)-bicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 126.3
[M+Na]+ 163.072938 131.5
[M-H]- 139.076444 129.3
[M+NH4]+ 158.117543 143.4
[M+K]+ 179.046878 133.1
[M+H-H2O]+ 123.080980 117.4
[M+HCOO]- 185.081921 145.1
[M+CH3COO]- 199.097571 175.0
[M+Na-2H]- 161.058386 129.7
[M]+ 140.08317142 132.2
[M]- 140.08426858 132.2
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.