CID 208770

32972-04-6

Structural Information

Molecular Formula

C₁₁H₂₅NO₂

SMILES

CCCCOCC(CN(CC)CC)O

InChI

InChI=1S/C11H25NO2/c1-4-7-8-14-10-11(13)9-12(5-2)6-3/h11,13H,4-10H2,1-3H3

InChIKey

ZKNSJALVFQUKMS-UHFFFAOYSA-N

Compound name

1-butoxy-3-(diethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 203.18852 Da
Monoisotopic Mass: 1.5
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]+	204.19580	153.3
[M+Na]+	226.17774	157.1
[M-H]-	202.18124	152.7
[M+NH4]+	221.22234	172.2
[M+K]+	242.15168	157.4
[M+H-H2O]+	186.18578	147.3
[M+HCOO]-	248.18672	175.0
[M+CH3COO]-	262.20237	192.7
[M+Na-2H]-	224.16319	155.3
[M]+	203.18797	157.3
[M]-	203.18907	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe