CID 165461260

4-(ethoxycarbonyl)spiro[2.2]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
CCOC(=O)C1CC12CC2C(=O)O
InChI
InChI=1S/C9H12O4/c1-2-13-8(12)6-4-9(6)3-5(9)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKey
OWORTXGVDSGDKQ-UHFFFAOYSA-N
Compound name
2-ethoxycarbonylspiro[2.2]pentane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 149.8
[M+Na]+ 207.06278 158.0
[M-H]- 183.06628 155.4
[M+NH4]+ 202.10738 159.8
[M+K]+ 223.03672 156.9
[M+H-H2O]+ 167.07082 146.0
[M+HCOO]- 229.07176 167.0
[M+CH3COO]- 243.08741 192.0
[M+Na-2H]- 205.04823 152.2
[M]+ 184.07301 155.9
[M]- 184.07411 155.9
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.