CID 60042

1112-24-9

Structural Information

Molecular Formula
C6H15NO3
SMILES
CN(C)C(CO)(CO)CO
InChI
InChI=1S/C6H15NO3/c1-7(2)6(3-8,4-9)5-10/h8-10H,3-5H2,1-2H3
InChIKey
FGLZHYIVVZTBQJ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

341
Patents

149.1052 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.11248 133.2
[M+Na]+ 172.09442 138.8
[M-H]- 148.09792 130.8
[M+NH4]+ 167.13902 152.8
[M+K]+ 188.06836 138.9
[M+H-H2O]+ 132.10246 128.9
[M+HCOO]- 194.10340 153.1
[M+CH3COO]- 208.11905 173.9
[M+Na-2H]- 170.07987 138.8
[M]+ 149.10465 133.0
[M]- 149.10575 133.0
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