CID 3879885

4-(2-methoxyethoxy)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

757
Patents

167.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 134.3
[M+Na]+ 190.083858 141.8
[M-H]- 166.087364 137.6
[M+NH4]+ 185.128463 154.6
[M+K]+ 206.057798 140.5
[M+H-H2O]+ 150.091900 128.3
[M+HCOO]- 212.092841 159.8
[M+CH3COO]- 226.108491 180.6
[M+Na-2H]- 188.069306 141.1
[M]+ 167.09409142 135.8
[M]- 167.09518858 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

No literature data available for this compound.

Patent stripe

patents stripe