CID 3018371

2-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H13NO2
SMILES
COCCOC1=CC=CC=C1N
InChI
InChI=1S/C9H13NO2/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5H,6-7,10H2,1H3
InChIKey
GGVZNGYEHJHVMK-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
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 134.3
[M+Na]+ 190.08386 141.8
[M-H]- 166.08736 137.6
[M+NH4]+ 185.12846 154.6
[M+K]+ 206.05780 140.5
[M+H-H2O]+ 150.09190 128.3
[M+HCOO]- 212.09284 159.8
[M+CH3COO]- 226.10849 180.6
[M+Na-2H]- 188.06931 141.1
[M]+ 167.09409 135.8
[M]- 167.09519 135.8
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