CID 165666275

Rac-(1r,4s,5r)-4-methoxybicyclo[3.1.0]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
CO[C@@H]1CC[C@]2([C@@H]1C2)C(=O)O
InChI
InChI=1S/C8H12O3/c1-11-6-2-3-8(7(9)10)4-5(6)8/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6-,8+/m1/s1
InChIKey
DUYOQSIMSQNOON-JKMUOGBPSA-N
Compound name
(1S,4R,5S)-4-methoxybicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.8
[M+Na]+ 179.06786 142.7
[M-H]- 155.07136 137.1
[M+NH4]+ 174.11246 152.9
[M+K]+ 195.04180 140.7
[M+H-H2O]+ 139.07590 129.3
[M+HCOO]- 201.07684 153.0
[M+CH3COO]- 215.09249 176.9
[M+Na-2H]- 177.05331 138.2
[M]+ 156.07809 136.1
[M]- 156.07919 136.1
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

No patent data available for this compound.