CID 8282

115-70-8

Structural Information

Molecular Formula
C5H13NO2
SMILES
CCC(CO)(CO)N
InChI
InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3
InChIKey
IOAOAKDONABGPZ-UHFFFAOYSA-N
Compound name
2-amino-2-ethylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

13716
Patents

119.09463 Da
Monoisotopic Mass

-1.3
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

literature stripe

Patent stripe

patents stripe