CID 13349882

Hexyl hydrogen maleate

Structural Information

Molecular Formula
C10H16O4
SMILES
CCCCCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)/b7-6-
InChIKey
RNERBJNDXXEXTK-SREVYHEPSA-N
Compound name
(Z)-4-hexoxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

911
Patents

200.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 146.7
[M+Na]+ 223.09408 154.4
[M+NH4]+ 218.13868 151.6
[M+K]+ 239.06802 150.3
[M-H]- 199.09758 143.3
[M+Na-2H]- 221.07953 147.2
[M]+ 200.10431 146.2
[M]- 200.10541 146.2
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