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]+ 157.08592 127.7
[M+Na]+ 179.06786 131.7
[M-H]- 155.07136 130.9
[M+NH4]+ 174.11246 136.0
[M+K]+ 195.04180 135.9
[M+H-H2O]+ 139.07590 115.4
[M+HCOO]- 201.07684 143.3
[M+CH3COO]- 215.09249 184.9
[M+Na-2H]- 177.05331 131.8
[M]+ 156.07809 141.2
[M]- 156.07919 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