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 136.2
[M+Na]+ 195.06278 141.8
[M-H]- 171.06628 138.7
[M+NH4]+ 190.10738 151.1
[M+K]+ 211.03672 145.0
[M+H-H2O]+ 155.07082 127.6
[M+HCOO]- 217.07176 155.3
[M+CH3COO]- 231.08741 180.1
[M+Na-2H]- 193.04823 139.3
[M]+ 172.07301 145.6
[M]- 172.07411 145.6
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.