CID 6437759

Butyl octyl maleate

Structural Information

Molecular Formula
C16H28O4
SMILES
CCCCCCCCOC(=O)/C=C\C(=O)OCCCC
InChI
InChI=1S/C16H28O4/c1-3-5-7-8-9-10-14-20-16(18)12-11-15(17)19-13-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11-
InChIKey
KBZVSYQZRXCWHY-QXMHVHEDSA-N
Compound name
1-O-butyl 4-O-octyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

284.19876 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.206036 173.1
[M+Na]+ 307.187978 176.8
[M-H]- 283.191484 171.8
[M+NH4]+ 302.232583 189.0
[M+K]+ 323.161918 175.0
[M+H-H2O]+ 267.196020 166.7
[M+HCOO]- 329.196961 193.3
[M+CH3COO]- 343.212611 202.1
[M+Na-2H]- 305.173426 172.5
[M]+ 284.19821142 180.4
[M]- 284.19930858 180.4
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

patents stripe