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

1174
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

literature stripe

Patent stripe

patents stripe