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]+ 175.09648 136.2
[M+Na]+ 197.07842 142.7
[M-H]- 173.08192 139.1
[M+NH4]+ 192.12302 153.2
[M+K]+ 213.05236 146.1
[M+H-H2O]+ 157.08646 129.1
[M+HCOO]- 219.08740 156.1
[M+CH3COO]- 233.10305 180.5
[M+Na-2H]- 195.06387 142.0
[M]+ 174.08865 147.6
[M]- 174.08975 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.