CID 2106895

26583-58-4

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=CC=C(C=C1)OCCN
InChI
InChI=1S/C9H13NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7,10H2,1H3
InChIKey
WRJHHZOBJGDIHT-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.3
[M+Na]+ 174.088938 138.8
[M-H]- 150.092444 134.6
[M+NH4]+ 169.133543 152.2
[M+K]+ 190.062878 137.0
[M+H-H2O]+ 134.096980 125.5
[M+HCOO]- 196.097921 156.5
[M+CH3COO]- 210.113571 178.6
[M+Na-2H]- 172.074386 138.1
[M]+ 151.09917142 131.2
[M]- 151.10026858 131.2
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