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

161
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 134.0
[M+Na]+ 197.07842 140.2
[M-H]- 173.08192 137.9
[M+NH4]+ 192.12302 149.8
[M+K]+ 213.05236 144.3
[M+H-H2O]+ 157.08646 125.2
[M+HCOO]- 219.08740 155.5
[M+CH3COO]- 233.10305 182.6
[M+Na-2H]- 195.06387 139.2
[M]+ 174.08865 146.7
[M]- 174.08975 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