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
3
Annotation Hits

0
References

2902
Patents

194.13924 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.14652 142.1
[M+Na]+ 217.12846 146.6
[M-H]- 193.13196 138.1
[M+NH4]+ 212.17306 159.2
[M+K]+ 233.10240 139.5
[M+H-H2O]+ 177.13650 140.4
[M+HCOO]- 239.13744 160.7
[M+CH3COO]- 253.15309 171.6
[M+Na-2H]- 215.11391 150.3
[M]+ 194.13869 141.1
[M]- 194.13979 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