CID 95387

1-diethylamino-2-propanol

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: 1842
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	130.4
[M+Na]+	154.12023	139.3
[M+NH4]+	149.16483	138.3
[M+K]+	170.09417	134.6
[M-H]-	130.12373	130.3
[M+Na-2H]-	152.10568	133.7
[M]+	131.13046	131.3
[M]-	131.13156	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe