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

4
Patents

184.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 152.3
[M+Na]+ 207.062778 160.2
[M-H]- 183.066284 157.9
[M+NH4]+ 202.107383 163.6
[M+K]+ 223.036718 160.8
[M+H-H2O]+ 167.070820 149.8
[M+HCOO]- 229.071761 168.8
[M+CH3COO]- 243.087411 190.8
[M+Na-2H]- 205.048226 156.0
[M]+ 184.07301142 158.6
[M]- 184.07410858 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

patents stripe