CID 3014803

Trimethanolamine

Structural Information

Molecular Formula
C3H9NO3
SMILES
C(N(CO)CO)O
InChI
InChI=1S/C3H9NO3/c5-1-4(2-6)3-7/h5-7H,1-3H2
InChIKey
ITBPIKUGMIZTJR-UHFFFAOYSA-N
Compound name
[bis(hydroxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8519
Patents

107.05824 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.06552 119.6
[M+Na]+ 130.04746 125.9
[M-H]- 106.05096 117.4
[M+NH4]+ 125.09206 140.7
[M+K]+ 146.02140 126.4
[M+H-H2O]+ 90.055500 115.1
[M+HCOO]- 152.05644 142.0
[M+CH3COO]- 166.07209 164.5
[M+Na-2H]- 128.03291 126.0
[M]+ 107.05769 118.7
[M]- 107.05879 118.7
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.