CID 93658

57390-38-2

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CC(C(OC)OC)N

InChI

InChI=1S/C5H13NO2/c1-4(6)5(7-2)8-3/h4-5H,6H2,1-3H3

InChIKey

GZOKAVHTSXSLNB-UHFFFAOYSA-N

Compound name

1,1-dimethoxypropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 442
Patents: 119.09463 Da
Monoisotopic Mass: -0.4
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]+	120.10191	125.8
[M+Na]+	142.08385	132.1
[M-H]-	118.08735	125.8
[M+NH4]+	137.12845	147.8
[M+K]+	158.05779	133.6
[M+H-H2O]+	102.09189	121.0
[M+HCOO]-	164.09283	148.8
[M+CH3COO]-	178.10848	173.9
[M+Na-2H]-	140.06930	129.9
[M]+	119.09408	126.4
[M]-	119.09518	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe