CID 10877230

(e)-hex-2-enedioic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
C(CC(=O)O)/C=C/C(=O)O
InChI
InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+
InChIKey
HSBSUGYTMJWPAX-HNQUOIGGSA-N
Compound name
(E)-hex-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4715
Patents

144.04225 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 128.1
[M+Na]+ 167.03147 134.9
[M-H]- 143.03497 125.7
[M+NH4]+ 162.07607 148.0
[M+K]+ 183.00541 133.8
[M+H-H2O]+ 127.03951 123.9
[M+HCOO]- 189.04045 148.5
[M+CH3COO]- 203.05610 168.2
[M+Na-2H]- 165.01692 131.7
[M]+ 144.04170 127.9
[M]- 144.04280 127.9
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