CID 7618

Triethanolamine

Structural Information

Molecular Formula
C6H15NO3
SMILES
C(CO)N(CCO)CCO
InChI
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKey
GSEJCLTVZPLZKY-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

903
References

179603
Patents

149.1052 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.11248 133.3
[M+Na]+ 172.09442 138.4
[M-H]- 148.09792 130.5
[M+NH4]+ 167.13902 152.7
[M+K]+ 188.06836 138.1
[M+H-H2O]+ 132.10246 128.2
[M+HCOO]- 194.10340 154.7
[M+CH3COO]- 208.11905 173.6
[M+Na-2H]- 170.07987 138.1
[M]+ 149.10465 133.5
[M]- 149.10575 133.5
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

No patent data available for this compound.