CID 95623

Einecs 205-382-4

Structural Information

Molecular Formula
C13H30N2O4
SMILES
CC(CN(CCN(CC(C)O)CC(C)O)CCO)O
InChI
InChI=1S/C13H30N2O4/c1-11(17)8-14(6-7-16)4-5-15(9-12(2)18)10-13(3)19/h11-13,16-19H,4-10H2,1-3H3
InChIKey
VUTCGUXQNADIRX-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxyethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

82
Patents

278.22055 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.22783 173.0
[M+Na]+ 301.20977 173.3
[M-H]- 277.21327 169.2
[M+NH4]+ 296.25437 186.5
[M+K]+ 317.18371 174.2
[M+H-H2O]+ 261.21781 166.2
[M+HCOO]- 323.21875 189.4
[M+CH3COO]- 337.23440 205.7
[M+Na-2H]- 299.19522 169.3
[M]+ 278.22000 173.8
[M]- 278.22110 173.8
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

patents stripe