CID 12431

Tetraethanol ammonium hydroxide

Structural Information

Molecular Formula
C8H20NO4
SMILES
C(CO)[N+](CCO)(CCO)CCO
InChI
InChI=1S/C8H20NO4/c10-5-1-9(2-6-11,3-7-12)4-8-13/h10-13H,1-8H2/q+1
InChIKey
MRKAVJXPGLUQKP-UHFFFAOYSA-N
Compound name
tetrakis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2650
Patents

194.13924 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.146516 142.1
[M+Na]+ 217.128458 146.6
[M-H]- 193.131964 138.1
[M+NH4]+ 212.173063 159.2
[M+K]+ 233.102398 139.5
[M+H-H2O]+ 177.136500 140.4
[M+HCOO]- 239.137441 160.7
[M+CH3COO]- 253.153091 171.6
[M+Na-2H]- 215.113906 150.3
[M]+ 194.13869142 141.1
[M]- 194.13978858 141.1
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

patents stripe