CID 11983356

Sazetidine a

Structural Information

Molecular Formula
C15H20N2O2
SMILES
C1CN[C@@H]1COC2=CN=CC(=C2)C#CCCCCO
InChI
InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
InChIKey
WONBUILDJNKYCB-AWEZNQCLSA-N
Compound name
6-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]hex-5-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

149
Patents

260.15247 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 153.6
[M+Na]+ 283.14169 159.1
[M-H]- 259.14519 151.9
[M+NH4]+ 278.18629 158.8
[M+K]+ 299.11563 157.8
[M+H-H2O]+ 243.14973 134.6
[M+HCOO]- 305.15067 164.3
[M+CH3COO]- 319.16632 199.9
[M+Na-2H]- 281.12714 156.2
[M]+ 260.15192 154.8
[M]- 260.15302 154.8
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