CID 16784718

4-ethoxy-2-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

151.09972 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe