CID 123409292

2-methylbicyclo[3.1.0]hexane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1(CCC2C1C2)C(=O)O
InChI
InChI=1S/C8H12O2/c1-8(7(9)10)3-2-5-4-6(5)8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
WALDNGBNPHPCHL-UHFFFAOYSA-N
Compound name
2-methylbicyclo[3.1.0]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.3
[M+Na]+ 163.072938 139.3
[M-H]- 139.076444 133.7
[M+NH4]+ 158.117543 150.1
[M+K]+ 179.046878 137.0
[M+H-H2O]+ 123.080980 125.9
[M+HCOO]- 185.081921 149.4
[M+CH3COO]- 199.097571 175.0
[M+Na-2H]- 161.058386 134.7
[M]+ 140.08317142 131.1
[M]- 140.08426858 131.1
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

patents stripe