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
2
Annotation Hits

1
References

974
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

literature stripe

Patent stripe

patents stripe