CID 5271571

Dipentyl maleate

Structural Information

Molecular Formula
C14H24O4
SMILES
CCCCCOC(=O)/C=C\C(=O)OCCCCC
InChI
InChI=1S/C14H24O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b10-9-
InChIKey
NFCMRHDORQSGIS-KTKRTIGZSA-N
Compound name
dipentyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1553
Patents

256.16745 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 163.9
[M+Na]+ 279.15667 168.4
[M-H]- 255.16017 163.0
[M+NH4]+ 274.20127 180.9
[M+K]+ 295.13061 167.1
[M+H-H2O]+ 239.16471 157.8
[M+HCOO]- 301.16565 184.7
[M+CH3COO]- 315.18130 196.1
[M+Na-2H]- 277.14212 164.4
[M]+ 256.16690 170.5
[M]- 256.16800 170.5
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.