CID 28952046

6-hydroxyspiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1C(CC12CC(C2)O)C(=O)O
InChI
InChI=1S/C8H12O3/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKey
HEISQWDGPBUKAW-UHFFFAOYSA-N
Compound name
2-hydroxyspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

156.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 127.7
[M+Na]+ 179.067858 131.7
[M-H]- 155.071364 130.9
[M+NH4]+ 174.112463 136.0
[M+K]+ 195.041798 135.9
[M+H-H2O]+ 139.075900 115.4
[M+HCOO]- 201.076841 143.3
[M+CH3COO]- 215.092491 184.9
[M+Na-2H]- 177.053306 131.8
[M]+ 156.07809142 141.2
[M]- 156.07918858 141.2
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