CID 55290352

147927-61-5

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

C1C2(CC1(C2)N)N

InChI

InChI=1S/C5H10N2/c6-4-1-5(7,2-4)3-4/h1-3,6-7H2

InChIKey

QXAJEURIVBSWIL-UHFFFAOYSA-N

Compound name

bicyclo[1.1.1]pentane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 98.0844 Da
Monoisotopic Mass: -1.3
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]+	99.091676	140.6
[M+Na]+	121.07362	136.8
[M+NH4]+	116.11822	140.9
[M+K]+	137.04756	134.6
[M-H]-	97.077124	134.5
[M+Na-2H]-	119.05907	137.3
[M]+	98.083851	135.6
[M]-	98.084949	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe