CID 9794123

Tris(3-hydroxypropyl)amine

Structural Information

Molecular Formula
C9H21NO3
SMILES
C(CN(CCCO)CCCO)CO
InChI
InChI=1S/C9H21NO3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h11-13H,1-9H2
InChIKey
NHIRIMBKJDSLBY-UHFFFAOYSA-N
Compound name
3-[bis(3-hydroxypropyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10353
Patents

191.15215 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.15943 146.8
[M+Na]+ 214.14137 150.7
[M-H]- 190.14487 143.5
[M+NH4]+ 209.18597 164.6
[M+K]+ 230.11531 149.6
[M+H-H2O]+ 174.14941 141.2
[M+HCOO]- 236.15035 167.3
[M+CH3COO]- 250.16600 182.7
[M+Na-2H]- 212.12682 150.1
[M]+ 191.15160 148.2
[M]- 191.15270 148.2
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.