CID 3049304

64646-88-4

Structural Information

Molecular Formula
C13H19NO2
SMILES
CN(C)C1CCCOC1OC2=CC=CC=C2
InChI
InChI=1S/C13H19NO2/c1-14(2)12-9-6-10-15-13(12)16-11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3
InChIKey
WDFVHNZXUYLPTG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-phenoxyoxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.5
[M+Na]+ 244.13081 154.7
[M-H]- 220.13431 158.4
[M+NH4]+ 239.17541 167.5
[M+K]+ 260.10475 155.1
[M+H-H2O]+ 204.13885 142.7
[M+HCOO]- 266.13979 172.0
[M+CH3COO]- 280.15544 193.5
[M+Na-2H]- 242.11626 155.9
[M]+ 221.14104 149.3
[M]- 221.14214 149.3
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

No patent data available for this compound.