CID 84648507

1780872-44-7

Structural Information

Molecular Formula
C8H12O2
SMILES
C1C(CC2C1C2)CC(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)3-5-1-6-4-7(6)2-5/h5-7H,1-4H2,(H,9,10)
InChIKey
VFLUKLONYOJQIH-UHFFFAOYSA-N
Compound name
2-(3-bicyclo[3.1.0]hexanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 128.5
[M+Na]+ 163.072938 137.8
[M-H]- 139.076444 132.6
[M+NH4]+ 158.117543 147.4
[M+K]+ 179.046878 134.7
[M+H-H2O]+ 123.080980 123.9
[M+HCOO]- 185.081921 149.0
[M+CH3COO]- 199.097571 175.4
[M+Na-2H]- 161.058386 132.9
[M]+ 140.08317142 129.9
[M]- 140.08426858 129.9
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.