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]+ 173.080836 136.2
[M+Na]+ 195.062778 141.8
[M-H]- 171.066284 138.7
[M+NH4]+ 190.107383 151.1
[M+K]+ 211.036718 145.0
[M+H-H2O]+ 155.070820 127.6
[M+HCOO]- 217.071761 155.3
[M+CH3COO]- 231.087411 180.1
[M+Na-2H]- 193.048226 139.3
[M]+ 172.07301142 145.6
[M]- 172.07410858 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.