CID 6443675

(2z,4z)-2-hydroxy-6-oxonona-2,4-dienoic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
CCCC(=O)/C=C\C=C(\C(=O)O)/O
InChI
InChI=1S/C9H12O4/c1-2-4-7(10)5-3-6-8(11)9(12)13/h3,5-6,11H,2,4H2,1H3,(H,12,13)/b5-3-,8-6-
InChIKey
XUNCLPUITPERRV-NIOMPZRHSA-N
Compound name
(2Z,4Z)-2-hydroxy-6-oxonona-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

184.07356 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 140.7
[M+Na]+ 207.062778 146.4
[M-H]- 183.066284 137.9
[M+NH4]+ 202.107383 158.8
[M+K]+ 223.036718 144.4
[M+H-H2O]+ 167.070820 136.1
[M+HCOO]- 229.071761 159.3
[M+CH3COO]- 243.087411 176.6
[M+Na-2H]- 205.048226 141.4
[M]+ 184.07301142 140.1
[M]- 184.07410858 140.1
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