CID 5369200

Diisobutyl maleate

Structural Information

Molecular Formula
C12H20O4
SMILES
CC(C)COC(=O)/C=C\C(=O)OCC(C)C
InChI
InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5-
InChIKey
RSRICHZMFPHXLE-WAYWQWQTSA-N
Compound name
bis(2-methylpropyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3607
Patents

228.13615 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 154.5
[M+Na]+ 251.125368 159.5
[M-H]- 227.128874 154.2
[M+NH4]+ 246.169973 172.6
[M+K]+ 267.099308 159.7
[M+H-H2O]+ 211.133410 149.1
[M+HCOO]- 273.134351 174.0
[M+CH3COO]- 287.150001 191.9
[M+Na-2H]- 249.110816 153.6
[M]+ 228.13560142 159.0
[M]- 228.13669858 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe