CID 4166097

4-methoxy-3,5-dimethylaniline

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=CC(=CC(=C1OC)C)N
InChI
InChI=1S/C9H13NO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,10H2,1-3H3
InChIKey
HUPGZEYAAFYLSC-UHFFFAOYSA-N
Compound name
4-methoxy-3,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.5
[M+Na]+ 174.088938 139.9
[M-H]- 150.092444 134.7
[M+NH4]+ 169.133543 152.1
[M+K]+ 190.062878 138.2
[M+H-H2O]+ 134.096980 125.3
[M+HCOO]- 196.097921 155.7
[M+CH3COO]- 210.113571 180.9
[M+Na-2H]- 172.074386 135.9
[M]+ 151.09917142 131.3
[M]- 151.10026858 131.3
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