CID 20789163

1-methoxy-3-(methylamino)-2-propanol

Structural Information

Molecular Formula
C5H13NO2
SMILES
CNCC(COC)O
InChI
InChI=1S/C5H13NO2/c1-6-3-5(7)4-8-2/h5-7H,3-4H2,1-2H3
InChIKey
FQPOLOTYYAEFEQ-UHFFFAOYSA-N
Compound name
1-methoxy-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

119.09463 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.101906 125.5
[M+Na]+ 142.083848 131.6
[M-H]- 118.087354 124.5
[M+NH4]+ 137.128453 147.1
[M+K]+ 158.057788 132.0
[M+H-H2O]+ 102.091890 120.8
[M+HCOO]- 164.092831 148.6
[M+CH3COO]- 178.108481 171.1
[M+Na-2H]- 140.069296 131.5
[M]+ 119.09408142 125.9
[M]- 119.09517858 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe