CID 6437232

Cyclohexyl isobutyl maleate

Structural Information

Molecular Formula
C14H22O4
SMILES
CC(C)COC(=O)/C=C\C(=O)OC1CCCCC1
InChI
InChI=1S/C14H22O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8-
InChIKey
CNKATKALHSIDQP-HJWRWDBZSA-N
Compound name
4-O-cyclohexyl 1-O-(2-methylpropyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.15181 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.159086 161.4
[M+Na]+ 277.141028 163.8
[M-H]- 253.144534 163.3
[M+NH4]+ 272.185633 177.8
[M+K]+ 293.114968 163.1
[M+H-H2O]+ 237.149070 155.0
[M+HCOO]- 299.150011 178.5
[M+CH3COO]- 313.165661 193.6
[M+Na-2H]- 275.126476 160.4
[M]+ 254.15126142 160.5
[M]- 254.15235858 160.5
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

No patent data available for this compound.