CID 5312563

16z-tricosenoic acid

Structural Information

Molecular Formula

C₂₃H₄₄O₂

SMILES

CCCCCC/C=C\CCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h7-8H,2-6,9-22H2,1H3,(H,24,25)/b8-7-

InChIKey

WJUFVBCUBJGBER-FPLPWBNLSA-N

Compound name

(Z)-tricos-16-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.33414 Da
Monoisotopic Mass: 9.2
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]+	353.341416	199.9
[M+Na]+	375.323358	200.1
[M-H]-	351.326864	195.7
[M+NH4]+	370.367963	212.4
[M+K]+	391.297298	194.6
[M+H-H2O]+	335.331400	192.5
[M+HCOO]-	397.332341	216.5
[M+CH3COO]-	411.347991	217.8
[M+Na-2H]-	373.308806	196.2
[M]+	352.33359142	206.5
[M]-	352.33468858	206.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.