CID 125132

Bis-tris propane

Structural Information

Molecular Formula
C11H26N2O6
SMILES
C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
InChI
InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChIKey
HHKZCCWKTZRCCL-UHFFFAOYSA-N
Compound name
2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

64
References

13987
Patents

282.17908 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18636 163.7
[M+Na]+ 305.16830 164.5
[M-H]- 281.17180 154.6
[M+NH4]+ 300.21290 174.3
[M+K]+ 321.14224 162.1
[M+H-H2O]+ 265.17634 158.2
[M+HCOO]- 327.17728 176.8
[M+CH3COO]- 341.19293 191.8
[M+Na-2H]- 303.15375 168.0
[M]+ 282.17853 161.3
[M]- 282.17963 161.3
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