CID 38042

10-undecenoyl chloride

Structural Information

Molecular Formula

C₁₁H₁₉ClO

SMILES

C=CCCCCCCCCC(=O)Cl

InChI

InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2

InChIKey

MZFGYVZYLMNXGL-UHFFFAOYSA-N

Compound name

undec-10-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 1288
Patents: 202.11244 Da
Monoisotopic Mass: 4.8
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]+	203.119716	147.8
[M+Na]+	225.101658	154.2
[M-H]-	201.105164	147.2
[M+NH4]+	220.146263	168.0
[M+K]+	241.075598	150.1
[M+H-H2O]+	185.109700	143.6
[M+HCOO]-	247.110641	165.2
[M+CH3COO]-	261.126291	187.2
[M+Na-2H]-	223.087106	150.7
[M]+	202.11189142	152.2
[M]-	202.11298858	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe