CID 105771

Einecs 267-337-5

Structural Information

Molecular Formula
C28H52N2O5
SMILES
CCCCCCCCCCCCC1=CC(=C(C(=C1)CN(CCO)CCO)O)CN(CCO)CCO
InChI
InChI=1S/C28H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-21-26(23-29(13-17-31)14-18-32)28(35)27(22-25)24-30(15-19-33)16-20-34/h21-22,31-35H,2-20,23-24H2,1H3
InChIKey
OULHAICTILGDPH-UHFFFAOYSA-N
Compound name
2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-dodecylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

496.38763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.394906 229.8
[M+Na]+ 519.376848 227.3
[M-H]- 495.380354 226.3
[M+NH4]+ 514.421453 234.3
[M+K]+ 535.350788 223.1
[M+H-H2O]+ 479.384890 220.0
[M+HCOO]- 541.385831 244.3
[M+CH3COO]- 555.401481 246.2
[M+Na-2H]- 517.362296 223.3
[M]+ 496.38708142 236.3
[M]- 496.38817858 236.3
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.