CID 146049404

2411252-30-5

Structural Information

Molecular Formula
C9H14O3
SMILES
COC1CCC12CC(C2)C(=O)O
InChI
InChI=1S/C9H14O3/c1-12-7-2-3-9(7)4-6(5-9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
BOAKGMKCXVTYOM-UHFFFAOYSA-N
Compound name
7-methoxyspiro[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

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 143.3
[M+Na]+ 193.08352 143.7
[M+NH4]+ 188.12812 144.3
[M+K]+ 209.05746 141.7
[M-H]- 169.08702 138.8
[M+Na-2H]- 191.06897 142.8
[M]+ 170.09375 139.8
[M]- 170.09485 139.8
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.