CID 20543248

4-ethoxy-3-methylaniline

Structural Information

Molecular Formula
C9H13NO
SMILES
CCOC1=C(C=C(C=C1)N)C
InChI
InChI=1S/C9H13NO/c1-3-11-9-5-4-8(10)6-7(9)2/h4-6H,3,10H2,1-2H3
InChIKey
AEOOTFBLNLIOJB-UHFFFAOYSA-N
Compound name
4-ethoxy-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.9
[M+Na]+ 174.08894 139.4
[M-H]- 150.09244 134.7
[M+NH4]+ 169.13354 152.2
[M+K]+ 190.06288 137.7
[M+H-H2O]+ 134.09698 125.4
[M+HCOO]- 196.09792 156.2
[M+CH3COO]- 210.11357 179.7
[M+Na-2H]- 172.07439 137.0
[M]+ 151.09917 131.3
[M]- 151.10027 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

No literature data available for this compound.

Patent stripe

patents stripe