CID 5354318

Dicyclohexyl maleate

Structural Information

Molecular Formula
C16H24O4
SMILES
C1CCC(CC1)OC(=O)/C=C\C(=O)OC2CCCCC2
InChI
InChI=1S/C16H24O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h11-14H,1-10H2/b12-11-
InChIKey
BLKQQTCUGZJWLN-QXMHVHEDSA-N
Compound name
dicyclohexyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1150
Patents

280.16745 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 168.1
[M+Na]+ 303.15667 167.9
[M-H]- 279.16017 172.0
[M+NH4]+ 298.20127 182.7
[M+K]+ 319.13061 166.2
[M+H-H2O]+ 263.16471 160.3
[M+HCOO]- 325.16565 182.5
[M+CH3COO]- 339.18130 195.8
[M+Na-2H]- 301.14212 166.8
[M]+ 280.16690 161.4
[M]- 280.16800 161.4
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.