CID 10487446

98231-07-3

Structural Information

Molecular Formula
C8H14O4
SMILES
COC(=O)C1CC(C1)(OC)OC
InChI
InChI=1S/C8H14O4/c1-10-7(9)6-4-8(5-6,11-2)12-3/h6H,4-5H2,1-3H3
InChIKey
CHNARWNKXNPXOU-UHFFFAOYSA-N
Compound name
methyl 3,3-dimethoxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
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 134.0
[M+Na]+ 197.078418 140.2
[M-H]- 173.081924 137.9
[M+NH4]+ 192.123023 149.8
[M+K]+ 213.052358 144.3
[M+H-H2O]+ 157.086460 125.2
[M+HCOO]- 219.087401 155.5
[M+CH3COO]- 233.103051 182.6
[M+Na-2H]- 195.063866 139.2
[M]+ 174.08865142 146.7
[M]- 174.08974858 146.7
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

patents stripe