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
2
Annotation Hits

3
References

242
Patents

193.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 145.3
[M+Na]+ 216.13589 150.7
[M-H]- 192.13939 149.7
[M+NH4]+ 211.18049 165.2
[M+K]+ 232.10983 149.9
[M+H-H2O]+ 176.14393 138.4
[M+HCOO]- 238.14487 170.7
[M+CH3COO]- 252.16052 190.8
[M+Na-2H]- 214.12134 151.4
[M]+ 193.14612 148.3
[M]- 193.14722 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