CID 10559105

1-(ethoxycarbonyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
CCOC(=O)C1(CCC1)C(=O)O
InChI
InChI=1S/C8H12O4/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H,9,10)
InChIKey
XYHZRSFKDSWLHW-UHFFFAOYSA-N
Compound name
1-ethoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

172.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 137.1
[M+Na]+ 195.062778 141.9
[M-H]- 171.066284 139.2
[M+NH4]+ 190.107383 151.7
[M+K]+ 211.036718 145.0
[M+H-H2O]+ 155.070820 128.1
[M+HCOO]- 217.071761 156.2
[M+CH3COO]- 231.087411 178.9
[M+Na-2H]- 193.048226 140.8
[M]+ 172.07301142 146.2
[M]- 172.07410858 146.2
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