CID 4468930

Tris-hydroxymethyl-methyl-ammonium

Structural Information

Molecular Formula
C4H12NO3
SMILES
C[N+](CO)(CO)CO
InChI
InChI=1S/C4H12NO3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3/q+1
InChIKey
DRDCQJADRSJFFD-UHFFFAOYSA-N
Compound name
tris(hydroxymethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2793
Patents

122.08172 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.088996 120.6
[M+Na]+ 145.070938 127.3
[M-H]- 121.074444 118.8
[M+NH4]+ 140.115543 141.4
[M+K]+ 161.044878 121.7
[M+H-H2O]+ 105.078980 119.8
[M+HCOO]- 167.079921 141.8
[M+CH3COO]- 181.095571 159.9
[M+Na-2H]- 143.056386 131.2
[M]+ 122.08117142 118.6
[M]- 122.08226858 118.6
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