CID 132398451

3-(methoxycarbonyl)-3-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1(CC(C1)C(=O)O)C(=O)OC
InChI
InChI=1S/C8H12O4/c1-8(7(11)12-2)3-5(4-8)6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
HAHJZJBVUKPJMO-UHFFFAOYSA-N
Compound name
3-methoxycarbonyl-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 139.8
[M+Na]+ 195.06278 144.0
[M+NH4]+ 190.10738 143.4
[M+K]+ 211.03672 141.2
[M-H]- 171.06628 135.7
[M+Na-2H]- 193.04823 140.8
[M]+ 172.07301 137.8
[M]- 172.07411 137.8
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.