CID 88101945

2305254-98-0

Structural Information

Molecular Formula
C5H13NO2
SMILES
CC(CCO)(CN)O
InChI
InChI=1S/C5H13NO2/c1-5(8,4-6)2-3-7/h7-8H,2-4,6H2,1H3
InChIKey
MATKLUHGBONBCQ-UHFFFAOYSA-N
Compound name
4-amino-3-methylbutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

119.09463 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.101906 126.1
[M+Na]+ 142.083848 132.5
[M-H]- 118.087354 123.3
[M+NH4]+ 137.128453 146.8
[M+K]+ 158.057788 131.5
[M+H-H2O]+ 102.091890 122.3
[M+HCOO]- 164.092831 146.5
[M+CH3COO]- 178.108481 167.3
[M+Na-2H]- 140.069296 132.3
[M]+ 119.09408142 123.7
[M]- 119.09517858 123.7
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