CID 81462

Bis-tris

Structural Information

Molecular Formula
C8H19NO5
SMILES
C(CO)N(CCO)C(CO)(CO)CO
InChI
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
InChIKey
OWMVSZAMULFTJU-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1157
References

82737
Patents

209.12633 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13361 147.7
[M+Na]+ 232.11555 151.2
[M-H]- 208.11905 141.9
[M+NH4]+ 227.16015 163.2
[M+K]+ 248.08949 150.3
[M+H-H2O]+ 192.12359 142.7
[M+HCOO]- 254.12453 164.3
[M+CH3COO]- 268.14018 179.6
[M+Na-2H]- 230.10100 151.4
[M]+ 209.12578 147.2
[M]- 209.12688 147.2
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