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

974
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 146.0
[M+Na]+ 223.09408 151.6
[M-H]- 199.09758 144.3
[M+NH4]+ 218.13868 164.4
[M+K]+ 239.06802 150.4
[M+H-H2O]+ 183.10212 140.8
[M+HCOO]- 245.10306 166.6
[M+CH3COO]- 259.11871 182.2
[M+Na-2H]- 221.07953 148.0
[M]+ 200.10431 149.1
[M]- 200.10541 149.1
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