CID 124510

1-amino-3-methoxypropan-2-ol

Structural Information

Molecular Formula
C4H11NO2
SMILES
COCC(CN)O
InChI
InChI=1S/C4H11NO2/c1-7-3-4(6)2-5/h4,6H,2-3,5H2,1H3
InChIKey
IDSWHVZEQHESIJ-UHFFFAOYSA-N
Compound name
1-amino-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

419
Patents

105.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.086256 121.4
[M+Na]+ 128.068198 127.8
[M-H]- 104.071704 120.0
[M+NH4]+ 123.112803 143.2
[M+K]+ 144.042138 128.1
[M+H-H2O]+ 88.076240 116.8
[M+HCOO]- 150.077181 144.1
[M+CH3COO]- 164.092831 167.4
[M+Na-2H]- 126.053646 126.7
[M]+ 105.07843142 120.3
[M]- 105.07952858 120.3
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