CID 13406113

(z)-non-6-enoic acid

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CC/C=C\CCCCC(=O)O

InChI

InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4H,2,5-8H2,1H3,(H,10,11)/b4-3-

InChIKey

ZPSOISAMGWYNQX-ARJAWSKDSA-N

Compound name

(Z)-non-6-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 156.11504 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.122316	137.0
[M+Na]+	179.104258	143.0
[M-H]-	155.107764	135.5
[M+NH4]+	174.148863	157.4
[M+K]+	195.078198	141.2
[M+H-H2O]+	139.112300	132.3
[M+HCOO]-	201.113241	158.2
[M+CH3COO]-	215.128891	175.8
[M+Na-2H]-	177.089706	140.7
[M]+	156.11449142	138.3
[M]-	156.11558858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe