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	145.2
[M+Na]+	121.07362	148.8
[M-H]-	97.077124	148.0
[M+NH4]+	116.11822	152.9
[M+K]+	137.04756	154.8
[M+H-H2O]+	81.081660	131.5
[M+HCOO]-	143.08260	159.4
[M+CH3COO]-	157.09825	201.2
[M+Na-2H]-	119.05907	151.8
[M]+	98.083851	166.3
[M]-	98.084949	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe