CID 3047445

Ethanamine, n-ethyl-2-(2-heptylphenoxy)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C17H29NO
SMILES
CCCCCCCC1=CC=CC=C1OCCNCC
InChI
InChI=1S/C17H29NO/c1-3-5-6-7-8-11-16-12-9-10-13-17(16)19-15-14-18-4-2/h9-10,12-13,18H,3-8,11,14-15H2,1-2H3
InChIKey
FEMVFANZVNYNLW-UHFFFAOYSA-N
Compound name
N-ethyl-2-(2-heptylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.23218 167.5
[M+Na]+ 286.21412 178.5
[M+NH4]+ 281.25872 175.3
[M+K]+ 302.18806 169.5
[M-H]- 262.21762 170.4
[M+Na-2H]- 284.19957 173.2
[M]+ 263.22435 169.8
[M]- 263.22545 169.8
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

No patent data available for this compound.