CID 15651

2-phenoxyethylamine

Structural Information

Molecular Formula
C8H11NO
SMILES
C1=CC=C(C=C1)OCCN
InChI
InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
IMLAIXAZMVDRGA-UHFFFAOYSA-N
Compound name
2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

3945
Patents

137.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.8
[M+Na]+ 160.073278 133.8
[M-H]- 136.076784 129.9
[M+NH4]+ 155.117883 148.0
[M+K]+ 176.047218 132.2
[M+H-H2O]+ 120.081320 121.0
[M+HCOO]- 182.082261 152.4
[M+CH3COO]- 196.097911 174.4
[M+Na-2H]- 158.058726 134.9
[M]+ 137.08351142 126.1
[M]- 137.08460858 126.1
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