CID 28995611

3-[(hexyloxy)methyl]aniline

Structural Information

Molecular Formula
C13H21NO
SMILES
CCCCCCOCC1=CC(=CC=C1)N
InChI
InChI=1S/C13H21NO/c1-2-3-4-5-9-15-11-12-7-6-8-13(14)10-12/h6-8,10H,2-5,9,11,14H2,1H3
InChIKey
UNULCBYHVFGRCG-UHFFFAOYSA-N
Compound name
3-(hexoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 149.5
[M+Na]+ 230.15153 161.0
[M+NH4]+ 225.19613 157.8
[M+K]+ 246.12547 153.3
[M-H]- 206.15503 152.4
[M+Na-2H]- 228.13698 155.8
[M]+ 207.16176 151.8
[M]- 207.16286 151.8
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.