CID 20558493

2-(aminomethyl)-2-methylpropane-1,3-diol

Structural Information

Molecular Formula
C5H13NO2
SMILES
CC(CN)(CO)CO
InChI
InChI=1S/C5H13NO2/c1-5(2-6,3-7)4-8/h7-8H,2-4,6H2,1H3
InChIKey
ORDSYPMMTHBAOG-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

119.09463 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.10191 124.3
[M+Na]+ 142.08385 132.1
[M+NH4]+ 137.12845 131.0
[M+K]+ 158.05779 128.9
[M-H]- 118.08735 122.2
[M+Na-2H]- 140.06930 126.6
[M]+ 119.09408 124.4
[M]- 119.09518 124.4
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