CID 3067038

80762-79-4

Structural Information

Molecular Formula

C₁₁H₂₅NO₂

SMILES

CCCCOCC(CNC(C)(C)C)O

InChI

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

InChIKey

YOFMNFBHISSYGA-UHFFFAOYSA-N

Compound name

1-butoxy-3-(tert-butylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.18852 Da
Monoisotopic Mass: 1.3
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]+	204.19580	153.1
[M+Na]+	226.17774	157.2
[M-H]-	202.18124	151.4
[M+NH4]+	221.22234	171.6
[M+K]+	242.15168	156.6
[M+H-H2O]+	186.18578	148.0
[M+HCOO]-	248.18672	172.7
[M+CH3COO]-	262.20237	188.9
[M+Na-2H]-	224.16319	156.6
[M]+	203.18797	155.2
[M]-	203.18907	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe