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

239
Patents

172.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 137.1
[M+Na]+ 195.06278 141.9
[M-H]- 171.06628 139.2
[M+NH4]+ 190.10738 151.7
[M+K]+ 211.03672 145.0
[M+H-H2O]+ 155.07082 128.1
[M+HCOO]- 217.07176 156.2
[M+CH3COO]- 231.08741 178.9
[M+Na-2H]- 193.04823 140.8
[M]+ 172.07301 146.2
[M]- 172.07411 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