CID 22613949

4-amino-3-methoxybutan-1-ol

Structural Information

Molecular Formula
C5H13NO2
SMILES
COC(CCO)CN
InChI
InChI=1S/C5H13NO2/c1-8-5(4-6)2-3-7/h5,7H,2-4,6H2,1H3
InChIKey
LHIBRNSDFBVNGT-UHFFFAOYSA-N
Compound name
4-amino-3-methoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

119.09463 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.101906 126.0
[M+Na]+ 142.083848 132.0
[M-H]- 118.087354 124.4
[M+NH4]+ 137.128453 147.2
[M+K]+ 158.057788 132.1
[M+H-H2O]+ 102.091890 121.2
[M+HCOO]- 164.092831 148.4
[M+CH3COO]- 178.108481 170.4
[M+Na-2H]- 140.069296 130.8
[M]+ 119.09408142 125.3
[M]- 119.09517858 125.3
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