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
5
Annotation Hits

18
References

14392
Patents

123.06841 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.2
[M+Na]+ 146.05763 135.0
[M+NH4]+ 141.10223 131.6
[M+K]+ 162.03157 128.7
[M-H]- 122.06113 125.3
[M+Na-2H]- 144.04308 130.1
[M]+ 123.06786 124.8
[M]- 123.06896 124.8
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