CID 10888090

N-ethyl-2-methoxyaniline

Structural Information

Molecular Formula
C9H13NO
SMILES
CCNC1=CC=CC=C1OC
InChI
InChI=1S/C9H13NO/c1-3-10-8-6-4-5-7-9(8)11-2/h4-7,10H,3H2,1-2H3
InChIKey
RUSPWDWPGXKTFO-UHFFFAOYSA-N
Compound name
N-ethyl-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

151.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.7
[M+Na]+ 174.088938 138.2
[M-H]- 150.092444 134.6
[M+NH4]+ 169.133543 151.9
[M+K]+ 190.062878 136.8
[M+H-H2O]+ 134.096980 124.9
[M+HCOO]- 196.097921 156.6
[M+CH3COO]- 210.113571 179.3
[M+Na-2H]- 172.074386 138.6
[M]+ 151.09917142 131.7
[M]- 151.10026858 131.7
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