CID 106823962

5-ethoxyspiro[2.3]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC1CC2(C1)CC2C(=O)O
InChI
InChI=1S/C9H14O3/c1-2-12-6-3-9(4-6)5-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
JXHHGQSEZADPBM-UHFFFAOYSA-N
Compound name
5-ethoxyspiro[2.3]hexane-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 135.3
[M+Na]+ 193.08352 143.1
[M-H]- 169.08702 140.9
[M+NH4]+ 188.12812 146.6
[M+K]+ 209.05746 144.5
[M+H-H2O]+ 153.09156 126.6
[M+HCOO]- 215.09250 154.6
[M+CH3COO]- 229.10815 183.8
[M+Na-2H]- 191.06897 140.4
[M]+ 170.09375 146.8
[M]- 170.09485 146.8
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.