CID 16640686

3-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H13NO2
SMILES
COCCOC1=CC=CC(=C1)N
InChI
InChI=1S/C9H13NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6,10H2,1H3
InChIKey
RNNUSMIPHMAFKN-UHFFFAOYSA-N
Compound name
3-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

167.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.5
[M+Na]+ 190.08386 146.4
[M+NH4]+ 185.12846 142.9
[M+K]+ 206.05780 140.1
[M-H]- 166.08736 137.0
[M+Na-2H]- 188.06931 141.4
[M]+ 167.09409 136.8
[M]- 167.09519 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe