CID 161797

34004-36-9

Structural Information

Molecular Formula

C₆H₁₆NO₂

SMILES

C[N+](C)(C)CC(CO)O

InChI

InChI=1S/C6H16NO2/c1-7(2,3)4-6(9)5-8/h6,8-9H,4-5H2,1-3H3/q+1

InChIKey

SVMYVYPFRUNJLY-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 693
Patents: 134.1181 Da
Monoisotopic Mass: -1.0
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]+	135.12538	126.0
[M+Na]+	157.10732	136.6
[M+NH4]+	152.15192	134.5
[M+K]+	173.08126	133.7
[M-H]-	133.11082	126.5
[M+Na-2H]-	155.09277	130.3
[M]+	134.11755	127.8
[M]-	134.11865	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe