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 171.5
[M-H]- 262.21762 169.8
[M+NH4]+ 281.25872 184.2
[M+K]+ 302.18806 168.1
[M+H-H2O]+ 246.22216 160.0
[M+HCOO]- 308.22310 190.7
[M+CH3COO]- 322.23875 203.5
[M+Na-2H]- 284.19957 171.0
[M]+ 263.22435 171.4
[M]- 263.22545 171.4
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.