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

184
Patents

288.1573 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.164576 169.0
[M+Na]+ 311.146518 172.4
[M-H]- 287.150024 172.0
[M+NH4]+ 306.191123 181.7
[M+K]+ 327.120458 177.6
[M+H-H2O]+ 271.154560 160.7
[M+HCOO]- 333.155501 185.8
[M+CH3COO]- 347.171151 204.8
[M+Na-2H]- 309.131966 168.6
[M]+ 288.15675142 184.2
[M]- 288.15784858 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