CID 273840

1,3-bis(isopropylamino)propan-2-ol

Structural Information

Molecular Formula

C₉H₂₂N₂O

SMILES

CC(C)NCC(CNC(C)C)O

InChI

InChI=1S/C9H22N2O/c1-7(2)10-5-9(12)6-11-8(3)4/h7-12H,5-6H2,1-4H3

InChIKey

KUKNLWUAKYIWDI-UHFFFAOYSA-N

Compound name

1,3-bis(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 16
Patents: 174.17322 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]+	175.180496	146.3
[M+Na]+	197.162438	149.4
[M-H]-	173.165944	144.7
[M+NH4]+	192.207043	165.2
[M+K]+	213.136378	149.3
[M+H-H2O]+	157.170480	140.6
[M+HCOO]-	219.171421	166.8
[M+CH3COO]-	233.187071	188.0
[M+Na-2H]-	195.147886	147.6
[M]+	174.17267142	144.5
[M]-	174.17376858	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe