CID 165948026

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

Structural Information

Molecular Formula
C9H12O4
SMILES
CCOC(=O)C1(CC12CC2)C(=O)O
InChI
InChI=1S/C9H12O4/c1-2-13-7(12)9(6(10)11)5-8(9)3-4-8/h2-5H2,1H3,(H,10,11)
InChIKey
HVYVVHOFJBQZIV-UHFFFAOYSA-N
Compound name
2-ethoxycarbonylspiro[2.2]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 152.3
[M+Na]+ 207.06278 160.2
[M-H]- 183.06628 157.9
[M+NH4]+ 202.10738 163.6
[M+K]+ 223.03672 160.8
[M+H-H2O]+ 167.07082 149.8
[M+HCOO]- 229.07176 168.8
[M+CH3COO]- 243.08741 190.8
[M+Na-2H]- 205.04823 156.0
[M]+ 184.07301 158.6
[M]- 184.07411 158.6
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.