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
1
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]+ 497.39491 229.8
[M+Na]+ 519.37685 227.3
[M-H]- 495.38035 226.3
[M+NH4]+ 514.42145 234.3
[M+K]+ 535.35079 223.1
[M+H-H2O]+ 479.38489 220.0
[M+HCOO]- 541.38583 244.3
[M+CH3COO]- 555.40148 246.2
[M+Na-2H]- 517.36230 223.3
[M]+ 496.38708 236.3
[M]- 496.38818 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.