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
4
Annotation Hits

0
References

383
Patents

260.12598 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.133256 159.4
[M+Na]+ 283.115198 164.2
[M-H]- 259.118704 159.0
[M+NH4]+ 278.159803 176.0
[M+K]+ 299.089138 165.6
[M+H-H2O]+ 243.123240 153.6
[M+HCOO]- 305.124181 179.5
[M+CH3COO]- 319.139831 196.0
[M+Na-2H]- 281.100646 158.8
[M]+ 260.12543142 166.9
[M]- 260.12652858 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