CID 4913359

1,1-bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylate

Structural Information

Molecular Formula
C14H24O6
SMILES
CC(C)OC(=O)C1(CC(C1)(OC)OC)C(=O)OC(C)C
InChI
InChI=1S/C14H24O6/c1-9(2)19-11(15)13(12(16)20-10(3)4)7-14(8-13,17-5)18-6/h9-10H,7-8H2,1-6H3
InChIKey
SZJMXTBKYMLPTJ-UHFFFAOYSA-N
Compound name
dipropan-2-yl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

288.1573 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16458 169.0
[M+Na]+ 311.14652 172.4
[M-H]- 287.15002 172.0
[M+NH4]+ 306.19112 181.7
[M+K]+ 327.12046 177.6
[M+H-H2O]+ 271.15456 160.7
[M+HCOO]- 333.15550 185.8
[M+CH3COO]- 347.17115 204.8
[M+Na-2H]- 309.13197 168.6
[M]+ 288.15675 184.2
[M]- 288.15785 184.2
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