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 142.8
[M+Na]+ 221.07842 150.0
[M-H]- 197.08192 148.2
[M+NH4]+ 216.12302 152.7
[M+K]+ 237.05236 151.4
[M+H-H2O]+ 181.08646 133.9
[M+HCOO]- 243.08740 161.1
[M+CH3COO]- 257.10305 187.9
[M+Na-2H]- 219.06387 146.1
[M]+ 198.08865 154.6
[M]- 198.08975 154.6
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.