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

8648
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

literature stripe

Patent stripe

patents stripe