CID 470017

2-[2-(isopropylamino)ethylamino]butan-1-ol

Structural Information

Molecular Formula

C₉H₂₂N₂O

SMILES

CCC(CO)NCCNC(C)C

InChI

InChI=1S/C9H22N2O/c1-4-9(7-12)11-6-5-10-8(2)3/h8-12H,4-7H2,1-3H3

InChIKey

OAZTWOHREKGOLO-UHFFFAOYSA-N

Compound name

2-[2-(propan-2-ylamino)ethylamino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.17322 Da
Monoisotopic Mass: 0.4
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]+	175.180496	145.6
[M+Na]+	197.162438	148.8
[M-H]-	173.165944	143.8
[M+NH4]+	192.207043	164.5
[M+K]+	213.136378	148.2
[M+H-H2O]+	157.170480	139.7
[M+HCOO]-	219.171421	167.0
[M+CH3COO]-	233.187071	187.1
[M+Na-2H]-	195.147886	148.2
[M]+	174.17267142	144.4
[M]-	174.17376858	144.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.