CID 66150

N,n-diethyl-2-phenoxyethanamine

Structural Information

Molecular Formula
C12H19NO
SMILES
CCN(CC)CCOC1=CC=CC=C1
InChI
InChI=1S/C12H19NO/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
OOYKEEROCQGXPH-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

255
Patents

193.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.3
[M+Na]+ 216.135888 150.7
[M-H]- 192.139394 149.7
[M+NH4]+ 211.180493 165.2
[M+K]+ 232.109828 149.9
[M+H-H2O]+ 176.143930 138.4
[M+HCOO]- 238.144871 170.7
[M+CH3COO]- 252.160521 190.8
[M+Na-2H]- 214.121336 151.4
[M]+ 193.14612142 148.3
[M]- 193.14721858 148.3
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