CID 12398111

126147-80-6

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

CCOC([C@H](C)N)OCC

InChI

InChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3/t6-/m0/s1

InChIKey

MLTOHCRTGWUMIR-LURJTMIESA-N

Compound name

(2S)-1,1-diethoxypropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 147.12593 Da
Monoisotopic Mass: 0.3
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]+	148.13321	135.2
[M+Na]+	170.11515	140.6
[M-H]-	146.11865	134.8
[M+NH4]+	165.15975	156.0
[M+K]+	186.08909	141.6
[M+H-H2O]+	130.12319	130.0
[M+HCOO]-	192.12413	157.5
[M+CH3COO]-	206.13978	180.0
[M+Na-2H]-	168.10060	138.2
[M]+	147.12538	136.6
[M]-	147.12648	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe