CID 12657471

Methyl 5-chloropentanecarboximidate hydrochloride

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

COC(=N)CCCCCl

InChI

InChI=1S/C6H12ClNO/c1-9-6(8)4-2-3-5-7/h8H,2-5H2,1H3

InChIKey

CQOIKXAXXKRZRD-UHFFFAOYSA-N

Compound name

methyl 5-chloropentanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 149.06075 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]+	150.06803	131.2
[M+Na]+	172.04997	138.5
[M-H]-	148.05347	131.4
[M+NH4]+	167.09457	153.2
[M+K]+	188.02391	136.3
[M+H-H2O]+	132.05801	127.4
[M+HCOO]-	194.05895	151.0
[M+CH3COO]-	208.07460	177.1
[M+Na-2H]-	170.03542	136.8
[M]+	149.06020	133.5
[M]-	149.06130	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe