CID 87919

19059-68-8

Structural Information

Molecular Formula

SMILES

CC(C)(CN(C)C)CO

InChI

InChI=1S/C7H17NO/c1-7(2,6-9)5-8(3)4/h9H,5-6H2,1-4H3

InChIKey

PYEWZDAEJUUIJX-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-2,2-dimethylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 798
Patents: 131.13101 Da
Monoisotopic Mass: 0.8
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]+	132.138286	130.7
[M+Na]+	154.120228	136.9
[M-H]-	130.123734	131.2
[M+NH4]+	149.164833	152.7
[M+K]+	170.094168	137.7
[M+H-H2O]+	114.128270	126.4
[M+HCOO]-	176.129211	152.9
[M+CH3COO]-	190.144861	178.2
[M+Na-2H]-	152.105676	136.8
[M]+	131.13046142	131.9
[M]-	131.13155858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe