CID 145913449

(1s,4s)-bicyclo[2.2.0]hexane-2-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C[C@H]2[C@@H]1CC2C(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)6-3-4-1-2-5(4)6/h4-6H,1-3H2,(H,8,9)/t4-,5-,6?/m0/s1
InChIKey
GFKDXHYKQUQYFA-HVYQYDHPSA-N
Compound name
(1S,4S)-bicyclo[2.2.0]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 130.0
[M+Na]+ 149.05730 130.9
[M+NH4]+ 144.10190 130.6
[M+K]+ 165.03124 130.4
[M-H]- 125.06080 125.2
[M+Na-2H]- 147.04275 128.2
[M]+ 126.06753 126.3
[M]- 126.06863 126.3
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.