CID 110414

68516-56-3

Structural Information

Molecular Formula
C21H38N2O
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)CNCCN
InChI
InChI=1S/C21H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-21(24)20(17-19)18-23-16-15-22/h13-14,17,23-24H,2-12,15-16,18,22H2,1H3
InChIKey
CUXKYMYAYXBUDX-UHFFFAOYSA-N
Compound name
2-[(2-aminoethylamino)methyl]-4-dodecylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

334.2984 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.30568 188.6
[M+Na]+ 357.28762 190.5
[M-H]- 333.29112 188.5
[M+NH4]+ 352.33222 201.2
[M+K]+ 373.26156 184.9
[M+H-H2O]+ 317.29566 180.3
[M+HCOO]- 379.29660 209.2
[M+CH3COO]- 393.31225 218.5
[M+Na-2H]- 355.27307 188.1
[M]+ 334.29785 190.7
[M]- 334.29895 190.7
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