CID 102444

1,3-diaminopentane

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CCC(CCN)N

InChI

InChI=1S/C5H14N2/c1-2-5(7)3-4-6/h5H,2-4,6-7H2,1H3

InChIKey

WTSXICLFTPPDTL-UHFFFAOYSA-N

Compound name

pentane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 9916
Patents: 102.1157 Da
Monoisotopic Mass: -0.3
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]+	103.12298	121.8
[M+Na]+	125.10492	130.0
[M+NH4]+	120.14952	129.9
[M+K]+	141.07886	125.4
[M-H]-	101.10842	122.4
[M+Na-2H]-	123.09037	125.3
[M]+	102.11515	122.7
[M]-	102.11625	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe