CID 20145591

4-(methylamino)butane-1,2-diol hydrochloride

Structural Information

Molecular Formula
C5H13NO2
SMILES
CNCCC(CO)O
InChI
InChI=1S/C5H13NO2/c1-6-3-2-5(8)4-7/h5-8H,2-4H2,1H3
InChIKey
ZQNSAAQTUHTYCK-UHFFFAOYSA-N
Compound name
4-(methylamino)butane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

119.09463 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.10191 126.2
[M+Na]+ 142.08385 131.8
[M-H]- 118.08735 123.8
[M+NH4]+ 137.12845 147.0
[M+K]+ 158.05779 131.3
[M+H-H2O]+ 102.09189 121.7
[M+HCOO]- 164.09283 147.8
[M+CH3COO]- 178.10848 168.5
[M+Na-2H]- 140.06930 131.6
[M]+ 119.09408 124.6
[M]- 119.09518 124.6
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