CID 24730

Triisopropanolamine

Structural Information

Molecular Formula
C9H21NO3
SMILES
CC(CN(CC(C)O)CC(C)O)O
InChI
InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3
InChIKey
SLINHMUFWFWBMU-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

90348
Patents

191.15215 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.15943 148.5
[M+Na]+ 214.14137 151.8
[M-H]- 190.14487 145.6
[M+NH4]+ 209.18597 166.2
[M+K]+ 230.11531 152.3
[M+H-H2O]+ 174.14941 143.3
[M+HCOO]- 236.15035 166.0
[M+CH3COO]- 250.16600 185.5
[M+Na-2H]- 212.12682 147.9
[M]+ 191.15160 147.9
[M]- 191.15270 147.9
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