CID 3045350

91912-36-6

Structural Information

Molecular Formula

C₇H₁₃Cl₂N

SMILES

CN1C(CCC1CCl)CCl

InChI

InChI=1S/C7H13Cl2N/c1-10-6(4-8)2-3-7(10)5-9/h6-7H,2-5H2,1H3

InChIKey

VEWFTIYGIGHENL-UHFFFAOYSA-N

Compound name

2,5-bis(chloromethyl)-1-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 181.04251 Da
Monoisotopic Mass: 2.1
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]+	182.049786	138.9
[M+Na]+	204.031728	147.8
[M-H]-	180.035234	139.9
[M+NH4]+	199.076333	160.7
[M+K]+	220.005668	143.4
[M+H-H2O]+	164.039770	134.2
[M+HCOO]-	226.040711	150.5
[M+CH3COO]-	240.056361	179.9
[M+Na-2H]-	202.017176	140.8
[M]+	181.04196142	139.4
[M]-	181.04305858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe