CID 23422644

56123-06-9

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

C=C(CN)CN

InChI

InChI=1S/C4H10N2/c1-4(2-5)3-6/h1-3,5-6H2

InChIKey

PRCGMIFKQRXNBS-UHFFFAOYSA-N

Compound name

2-methylidenepropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 86.0844 Da
Monoisotopic Mass: -1.0
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	117.8
[M+Na]+	109.07362	124.2
[M-H]-	85.077124	117.3
[M+NH4]+	104.11822	140.4
[M+K]+	125.04756	123.5
[M+H-H2O]+	69.081660	113.1
[M+HCOO]-	131.08260	142.1
[M+CH3COO]-	145.09825	169.3
[M+Na-2H]-	107.05907	122.8
[M]+	86.083851	113.2
[M]-	86.084949	113.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe