CID 10464404

1-methylbicyclo[3.1.0]hexane-6-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC12CCCC1C2C(=O)O
InChI
InChI=1S/C8H12O2/c1-8-4-2-3-5(8)6(8)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
YDUSPDJGDMRUQD-UHFFFAOYSA-N
Compound name
1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.3
[M+Na]+ 163.07294 139.3
[M-H]- 139.07644 133.7
[M+NH4]+ 158.11754 150.1
[M+K]+ 179.04688 137.0
[M+H-H2O]+ 123.08098 125.9
[M+HCOO]- 185.08192 149.4
[M+CH3COO]- 199.09757 175.0
[M+Na-2H]- 161.05839 134.7
[M]+ 140.08317 131.1
[M]- 140.08427 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