CID 10824

M-anisidine

Structural Information

Molecular Formula
C7H9NO
SMILES
COC1=CC=CC(=C1)N
InChI
InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
InChIKey
NCBZRJODKRCREW-UHFFFAOYSA-N
Compound name
3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

18
References

16561
Patents

123.06841 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 121.9
[M+Na]+ 146.057628 130.3
[M-H]- 122.061134 125.7
[M+NH4]+ 141.102233 144.0
[M+K]+ 162.031568 129.0
[M+H-H2O]+ 106.065670 116.6
[M+HCOO]- 168.066611 147.8
[M+CH3COO]- 182.082261 172.5
[M+Na-2H]- 144.043076 129.8
[M]+ 123.06786142 121.2
[M]- 123.06895858 121.2
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