CID 103703

Bis(2-hydroxypropyl) methylenesuccinate

Structural Information

Molecular Formula
C11H18O6
SMILES
CC(COC(=O)CC(=C)C(=O)OCC(C)O)O
InChI
InChI=1S/C11H18O6/c1-7(11(15)17-6-9(3)13)4-10(14)16-5-8(2)12/h8-9,12-13H,1,4-6H2,2-3H3
InChIKey
QOLRMRIVONNWSS-UHFFFAOYSA-N
Compound name
bis(2-hydroxypropyl) 2-methylidenebutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

919
Patents

246.11034 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11762 155.9
[M+Na]+ 269.09956 159.9
[M-H]- 245.10306 152.8
[M+NH4]+ 264.14416 171.4
[M+K]+ 285.07350 160.3
[M+H-H2O]+ 229.10760 150.7
[M+HCOO]- 291.10854 172.2
[M+CH3COO]- 305.12419 189.7
[M+Na-2H]- 267.08501 153.4
[M]+ 246.10979 158.5
[M]- 246.11089 158.5
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