CID 167719088

6-(hydroxymethyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1C(CC12CC(C2)C(=O)O)CO
InChI
InChI=1S/C9H14O3/c10-5-6-1-9(2-6)3-7(4-9)8(11)12/h6-7,10H,1-5H2,(H,11,12)
InChIKey
FCQDDIJDYWQMRR-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 144.7
[M+Na]+ 193.08352 144.5
[M+NH4]+ 188.12812 145.3
[M+K]+ 209.05746 142.8
[M-H]- 169.08702 139.7
[M+Na-2H]- 191.06897 143.5
[M]+ 170.09375 140.9
[M]- 170.09485 140.9
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.