CID 3049308

64647-09-2

Structural Information

Molecular Formula
C14H22NO2
SMILES
C[N+](C)(C)[C@H]1CCCO[C@H]1OC2=CC=CC=C2
InChI
InChI=1S/C14H22NO2/c1-15(2,3)13-10-7-11-16-14(13)17-12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11H2,1-3H3/q+1/t13-,14-/m0/s1
InChIKey
JVODNVHNGDBSIY-KBPBESRZSA-N
Compound name
trimethyl-[(2S,3S)-2-phenoxyoxan-3-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.16505 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17233 152.6
[M+Na]+ 259.15427 166.9
[M+NH4]+ 254.19887 162.9
[M+K]+ 275.12821 160.9
[M-H]- 235.15777 160.6
[M+Na-2H]- 257.13972 161.6
[M]+ 236.16450 157.4
[M]- 236.16560 157.4
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.