CID 132354131

2138521-86-3

Structural Information

Molecular Formula
C10H14O4
SMILES
CCOC(=O)C1CC12CC(C2)C(=O)O
InChI
InChI=1S/C10H14O4/c1-2-14-9(13)7-5-10(7)3-6(4-10)8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKey
AKHUJHGPWNAGMI-UHFFFAOYSA-N
Compound name
2-ethoxycarbonylspiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 147.6
[M+Na]+ 221.07842 153.5
[M+NH4]+ 216.12302 152.3
[M+K]+ 237.05236 151.4
[M-H]- 197.08192 151.4
[M+Na-2H]- 219.06387 151.3
[M]+ 198.08865 149.3
[M]- 198.08975 149.3
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.