CID 42627728

4-methylpyrazolidine dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

CC1CNNC1

InChI

InChI=1S/C4H10N2/c1-4-2-5-6-3-4/h4-6H,2-3H2,1H3

InChIKey

SPPFMFXKGYNRER-UHFFFAOYSA-N

Compound name

4-methylpyrazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 86.0844 Da
Monoisotopic Mass: 0.1
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]+	87.091676	118.1
[M+Na]+	109.073618	124.6
[M-H]-	85.077124	115.8
[M+NH4]+	104.118223	139.4
[M+K]+	125.047558	123.0
[M+H-H2O]+	69.081660	112.0
[M+HCOO]-	131.082601	136.4
[M+CH3COO]-	145.098251	157.2
[M+Na-2H]-	107.059066	123.4
[M]+	86.08385142	111.2
[M]-	86.08494858	111.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe