CID 22250

4-methoxy-n-methylaniline

Structural Information

Molecular Formula
C8H11NO
SMILES
CNC1=CC=C(C=C1)OC
InChI
InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
InChIKey
JFXDIXYFXDOZIT-UHFFFAOYSA-N
Compound name
4-methoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2535
Patents

137.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.0
[M+Na]+ 160.07328 133.9
[M-H]- 136.07678 130.1
[M+NH4]+ 155.11788 147.8
[M+K]+ 176.04722 132.8
[M+H-H2O]+ 120.08132 120.4
[M+HCOO]- 182.08226 152.2
[M+CH3COO]- 196.09791 176.2
[M+Na-2H]- 158.05873 134.5
[M]+ 137.08351 126.7
[M]- 137.08461 126.7
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