CID 95623

Nalco l-699

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

79
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 170.1
[M+Na]+ 301.20977 172.8
[M+NH4]+ 296.25437 173.4
[M+K]+ 317.18371 171.9
[M-H]- 277.21327 166.5
[M+Na-2H]- 299.19522 167.7
[M]+ 278.22000 168.6
[M]- 278.22110 168.6
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