CID 273

Pentane-1,5-diamine

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

C(CCN)CCN

InChI

InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2

InChIKey

VHRGRCVQAFMJIZ-UHFFFAOYSA-N

Compound name

pentane-1,5-diamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1706
References: 81814
Patents: 102.1157 Da
Monoisotopic Mass: -0.6
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	122.5
[M+Na]+	125.10492	128.4
[M-H]-	101.10842	121.8
[M+NH4]+	120.14952	144.7
[M+K]+	141.07886	127.7
[M+H-H2O]+	85.112960	117.5
[M+HCOO]-	147.11390	147.4
[M+CH3COO]-	161.12955	172.4
[M+Na-2H]-	123.09037	128.4
[M]+	102.11515	119.7
[M]-	102.11625	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe