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]+ 141.09100 128.5
[M+Na]+ 163.07294 137.8
[M-H]- 139.07644 132.6
[M+NH4]+ 158.11754 147.4
[M+K]+ 179.04688 134.7
[M+H-H2O]+ 123.08098 123.9
[M+HCOO]- 185.08192 149.0
[M+CH3COO]- 199.09757 175.4
[M+Na-2H]- 161.05839 132.9
[M]+ 140.08317 129.9
[M]- 140.08427 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.