CID 15084971

3-[(2-butoxyethoxy)methyl]aniline

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCCOCCOCC1=CC(=CC=C1)N
InChI
InChI=1S/C13H21NO2/c1-2-3-7-15-8-9-16-11-12-5-4-6-13(14)10-12/h4-6,10H,2-3,7-9,11,14H2,1H3
InChIKey
ZUTNCDDNIVSOKU-UHFFFAOYSA-N
Compound name
3-(2-butoxyethoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.8
[M+Na]+ 246.146448 158.5
[M-H]- 222.149954 155.3
[M+NH4]+ 241.191053 170.7
[M+K]+ 262.120388 156.2
[M+H-H2O]+ 206.154490 145.8
[M+HCOO]- 268.155431 176.9
[M+CH3COO]- 282.171081 192.8
[M+Na-2H]- 244.131896 157.4
[M]+ 223.15668142 155.7
[M]- 223.15777858 155.7
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

No patent data available for this compound.