CID 448009

Tris(hydroxyethyl)aminomethane

Structural Information

Molecular Formula
C7H17NO3
SMILES
C(CO)C(CCO)(CCO)N
InChI
InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2
InChIKey
GKODZWOPPOTFGA-UHFFFAOYSA-N
Compound name
3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2311
References

1424
Patents

163.12085 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12813 138.2
[M+Na]+ 186.11007 143.2
[M-H]- 162.11357 133.6
[M+NH4]+ 181.15467 156.3
[M+K]+ 202.08401 141.3
[M+H-H2O]+ 146.11811 133.8
[M+HCOO]- 208.11905 156.6
[M+CH3COO]- 222.13470 173.1
[M+Na-2H]- 184.09552 142.9
[M]+ 163.12030 136.1
[M]- 163.12140 136.1
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