CID 112057

2-propanol, 1,1'-((2-((2-hydroxypropyl)amino)ethyl)imino)bis-

Structural Information

Molecular Formula
C11H26N2O3
SMILES
CC(CNCCN(CC(C)O)CC(C)O)O
InChI
InChI=1S/C11H26N2O3/c1-9(14)6-12-4-5-13(7-10(2)15)8-11(3)16/h9-12,14-16H,4-8H2,1-3H3
InChIKey
QDXBTXHLQHMWCP-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-hydroxypropyl)amino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

234.19434 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20162 161.3
[M+Na]+ 257.18356 162.7
[M-H]- 233.18706 157.8
[M+NH4]+ 252.22816 176.8
[M+K]+ 273.15750 162.9
[M+H-H2O]+ 217.19160 155.0
[M+HCOO]- 279.19254 179.1
[M+CH3COO]- 293.20819 196.7
[M+Na-2H]- 255.16901 159.8
[M]+ 234.19379 160.6
[M]- 234.19489 160.6
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