CID 95387

4402-32-8

Structural Information

Molecular Formula

SMILES

CCN(CC)CC(C)O

InChI

InChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3

InChIKey

BHUXAQIVYLDUQV-UHFFFAOYSA-N

Compound name

1-(diethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2090
Patents: 131.13101 Da
Monoisotopic Mass: 0.7
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]+	132.13829	131.8
[M+Na]+	154.12023	137.3
[M-H]-	130.12373	132.0
[M+NH4]+	149.16483	153.6
[M+K]+	170.09417	138.2
[M+H-H2O]+	114.12827	126.9
[M+HCOO]-	176.12921	154.5
[M+CH3COO]-	190.14486	178.7
[M+Na-2H]-	152.10568	135.9
[M]+	131.13046	132.8
[M]-	131.13156	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe