CID 199817

2-phenyl-1,2-pentanediamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCCC(CN)(C1=CC=CC=C1)N

InChI

InChI=1S/C11H18N2/c1-2-8-11(13,9-12)10-6-4-3-5-7-10/h3-7H,2,8-9,12-13H2,1H3

InChIKey

MSHRGLIWCXUXDG-UHFFFAOYSA-N

Compound name

2-phenylpentane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 178.147 Da
Monoisotopic Mass: 0.9
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]+	179.15428	141.6
[M+Na]+	201.13622	147.0
[M-H]-	177.13972	143.9
[M+NH4]+	196.18082	160.7
[M+K]+	217.11016	144.1
[M+H-H2O]+	161.14426	135.6
[M+HCOO]-	223.14520	164.8
[M+CH3COO]-	237.16085	186.2
[M+Na-2H]-	199.12167	147.9
[M]+	178.14645	138.3
[M]-	178.14755	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe