CID 27882

3-methoxy-4-methylaniline

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
InChIKey
ONADZNBSLRAJFW-UHFFFAOYSA-N
Compound name
3-methoxy-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

907
Patents

137.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.2
[M+Na]+ 160.073278 135.2
[M-H]- 136.076784 130.2
[M+NH4]+ 155.117883 148.1
[M+K]+ 176.047218 133.7
[M+H-H2O]+ 120.081320 121.0
[M+HCOO]- 182.082261 151.8
[M+CH3COO]- 196.097911 176.7
[M+Na-2H]- 158.058726 132.9
[M]+ 137.08351142 126.3
[M]- 137.08460858 126.3
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