CID 5781154

1-chloro-5-methoxy-2-pentene

Structural Information

Molecular Formula

SMILES

COCC/C=C/CCl

InChI

InChI=1S/C6H11ClO/c1-8-6-4-2-3-5-7/h2-3H,4-6H2,1H3/b3-2+

InChIKey

SJZGFAXZLBJENP-NSCUHMNNSA-N

Compound name

(E)-1-chloro-5-methoxypent-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 134.04984 Da
Monoisotopic Mass: 1.4
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]+	135.05712	125.9
[M+Na]+	157.03906	134.3
[M-H]-	133.04256	126.1
[M+NH4]+	152.08366	148.9
[M+K]+	173.01300	131.9
[M+H-H2O]+	117.04710	122.6
[M+HCOO]-	179.04804	145.6
[M+CH3COO]-	193.06369	171.6
[M+Na-2H]-	155.02451	132.7
[M]+	134.04929	129.6
[M]-	134.05039	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe