CID 20300841

2,3-dimethoxypropan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H13NO2
SMILES
COCC(CN)OC
InChI
InChI=1S/C5H13NO2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3
InChIKey
XMSLJZMWPNMEGK-UHFFFAOYSA-N
Compound name
2,3-dimethoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

119.09463 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.101906 125.3
[M+Na]+ 142.083848 131.7
[M-H]- 118.087354 125.1
[M+NH4]+ 137.128453 147.3
[M+K]+ 158.057788 132.8
[M+H-H2O]+ 102.091890 120.4
[M+HCOO]- 164.092831 149.2
[M+CH3COO]- 178.108481 173.0
[M+Na-2H]- 140.069296 130.7
[M]+ 119.09408142 126.5
[M]- 119.09517858 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe