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 118.0
[M+Na]+ 149.05730 122.6
[M-H]- 125.06080 121.2
[M+NH4]+ 144.10190 127.0
[M+K]+ 165.03124 127.5
[M+H-H2O]+ 109.06534 105.0
[M+HCOO]- 171.06628 135.0
[M+CH3COO]- 185.08193 184.1
[M+Na-2H]- 147.04275 123.3
[M]+ 126.06753 133.0
[M]- 126.06863 133.0
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.