CID 87238723

102054-10-4

Structural Information

Molecular Formula
C12H20O6
SMILES
CC(COC)OC(=O)/C=C\C(=O)OC(C)COC
InChI
InChI=1S/C12H20O6/c1-9(7-15-3)17-11(13)5-6-12(14)18-10(2)8-16-4/h5-6,9-10H,7-8H2,1-4H3/b6-5-
InChIKey
GVTGUOINIMHIRT-WAYWQWQTSA-N
Compound name
bis(1-methoxypropan-2-yl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

473
Patents

260.12598 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 159.4
[M+Na]+ 283.11520 164.2
[M-H]- 259.11870 159.0
[M+NH4]+ 278.15980 176.0
[M+K]+ 299.08914 165.6
[M+H-H2O]+ 243.12324 153.6
[M+HCOO]- 305.12418 179.5
[M+CH3COO]- 319.13983 196.0
[M+Na-2H]- 281.10065 158.8
[M]+ 260.12543 166.9
[M]- 260.12653 166.9
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