CID 3078054

Brn 5327527

Structural Information

Molecular Formula

C₁₁H₂₅NO₂

SMILES

CCN(CC)CC(COC(C)(C)C)O

InChI

InChI=1S/C11H25NO2/c1-6-12(7-2)8-10(13)9-14-11(3,4)5/h10,13H,6-9H2,1-5H3

InChIKey

GLDGBVXTRSSESY-UHFFFAOYSA-N

Compound name

1-(diethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.18852 Da
Monoisotopic Mass: 1.2
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	152.6
[M+Na]+	226.17774	156.9
[M-H]-	202.18124	152.4
[M+NH4]+	221.22234	171.8
[M+K]+	242.15168	157.7
[M+H-H2O]+	186.18578	147.4
[M+HCOO]-	248.18672	172.8
[M+CH3COO]-	262.20237	192.4
[M+Na-2H]-	224.16319	155.4
[M]+	203.18797	156.0
[M]-	203.18907	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe