CID 80624

2-ethoxy-5-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

151.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.9
[M+Na]+ 174.088938 139.4
[M-H]- 150.092444 134.7
[M+NH4]+ 169.133543 152.2
[M+K]+ 190.062878 137.7
[M+H-H2O]+ 134.096980 125.4
[M+HCOO]- 196.097921 156.2
[M+CH3COO]- 210.113571 179.7
[M+Na-2H]- 172.074386 137.0
[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