CID 21910

Epipropidine

Structural Information

Molecular Formula
C16H28N2O2
SMILES
C1CN(CCC1C2CCN(CC2)CC3CO3)CC4CO4
InChI
InChI=1S/C16H28N2O2/c1-5-17(9-15-11-19-15)6-2-13(1)14-3-7-18(8-4-14)10-16-12-20-16/h13-16H,1-12H2
InChIKey
SNYUHPPZINRDSG-UHFFFAOYSA-N
Compound name
1-(oxiran-2-ylmethyl)-4-[1-(oxiran-2-ylmethyl)piperidin-4-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

13847
Patents

280.2151 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.222376 182.6
[M+Na]+ 303.204318 185.8
[M-H]- 279.207824 191.2
[M+NH4]+ 298.248923 182.6
[M+K]+ 319.178258 186.2
[M+H-H2O]+ 263.212360 172.7
[M+HCOO]- 325.213301 192.5
[M+CH3COO]- 339.228951 188.5
[M+Na-2H]- 301.189766 181.4
[M]+ 280.21455142 181.2
[M]- 280.21564858 181.2
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