CID 8902

Dipropylamine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCCNCCC

InChI

InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3

InChIKey

WEHWNAOGRSTTBQ-UHFFFAOYSA-N

Compound name

N-propylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 31
References: 126369
Patents: 101.12045 Da
Monoisotopic Mass: 1.7
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]+	102.127726	122.8
[M+Na]+	124.109668	129.1
[M-H]-	100.113174	123.0
[M+NH4]+	119.154273	146.0
[M+K]+	140.083608	129.0
[M+H-H2O]+	84.117710	118.2
[M+HCOO]-	146.118651	147.6
[M+CH3COO]-	160.134301	172.1
[M+Na-2H]-	122.095116	130.2
[M]+	101.11990142	123.3
[M]-	101.12099858	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe