CID 15348371

2-methyl-2-[(methylamino)methyl]propane-1,3-diol

Structural Information

Molecular Formula
C6H15NO2
SMILES
CC(CNC)(CO)CO
InChI
InChI=1S/C6H15NO2/c1-6(4-8,5-9)3-7-2/h7-9H,3-5H2,1-2H3
InChIKey
JPDWOAOVCHLDTO-UHFFFAOYSA-N
Compound name
2-methyl-2-(methylaminomethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.11756 130.3
[M+Na]+ 156.09950 136.2
[M-H]- 132.10300 127.9
[M+NH4]+ 151.14410 150.7
[M+K]+ 172.07344 135.3
[M+H-H2O]+ 116.10754 126.2
[M+HCOO]- 178.10848 151.0
[M+CH3COO]- 192.12413 171.0
[M+Na-2H]- 154.08495 137.1
[M]+ 133.10973 129.3
[M]- 133.11083 129.3
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

No patent data available for this compound.