CID 72208116

1408075-28-4

Structural Information

Molecular Formula
C8H14O4
SMILES
CC1(CC(C1)(OC)OC)C(=O)O
InChI
InChI=1S/C8H14O4/c1-7(6(9)10)4-8(5-7,11-2)12-3/h4-5H2,1-3H3,(H,9,10)
InChIKey
IFTGAPGNKSGXOF-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-1-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 136.2
[M+Na]+ 197.078418 142.7
[M-H]- 173.081924 139.1
[M+NH4]+ 192.123023 153.2
[M+K]+ 213.052358 146.1
[M+H-H2O]+ 157.086460 129.1
[M+HCOO]- 219.087401 156.1
[M+CH3COO]- 233.103051 180.5
[M+Na-2H]- 195.063866 142.0
[M]+ 174.08865142 147.6
[M]- 174.08974858 147.6
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.