CID 155821472

2445750-57-0

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2(C1)[C@H](C[C@H]2O)C(=O)O
InChI
InChI=1S/C8H12O3/c9-6-4-5(7(10)11)8(6)2-1-3-8/h5-6,9H,1-4H2,(H,10,11)/t5-,6-/m1/s1
InChIKey
WBXBCDHISWSXLE-PHDIDXHHSA-N
Compound name
(1S,3R)-3-hydroxyspiro[3.3]heptane-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 140.6
[M+Na]+ 179.06786 140.6
[M+NH4]+ 174.11246 141.4
[M+K]+ 195.04180 139.1
[M-H]- 155.07136 135.6
[M+Na-2H]- 177.05331 139.7
[M]+ 156.07809 136.9
[M]- 156.07919 136.9
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.