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 153.3
[M+Na]+ 259.15427 157.5
[M-H]- 235.15777 161.3
[M+NH4]+ 254.19887 169.8
[M+K]+ 275.12821 151.9
[M+H-H2O]+ 219.16231 148.8
[M+HCOO]- 281.16325 173.4
[M+CH3COO]- 295.17890 189.5
[M+Na-2H]- 257.13972 162.5
[M]+ 236.16450 150.9
[M]- 236.16560 150.9
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.