CID 45081374

73555-14-3

Structural Information

Molecular Formula

C₇H₁₁ClO₂

SMILES

COC1(CCCC1)C(=O)Cl

InChI

InChI=1S/C7H11ClO2/c1-10-7(6(8)9)4-2-3-5-7/h2-5H2,1H3

InChIKey

YFPDQXCJYIMBTD-UHFFFAOYSA-N

Compound name

1-methoxycyclopentane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 162.04475 Da
Monoisotopic Mass: 1.7
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]+	163.05203	132.5
[M+Na]+	185.03397	140.3
[M-H]-	161.03747	135.9
[M+NH4]+	180.07857	157.6
[M+K]+	201.00791	138.3
[M+H-H2O]+	145.04201	129.2
[M+HCOO]-	207.04295	150.6
[M+CH3COO]-	221.05860	173.6
[M+Na-2H]-	183.01942	137.0
[M]+	162.04420	133.1
[M]-	162.04530	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe