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
2
Annotation Hits

1
References

13717
Patents

280.2151 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 182.6
[M+Na]+ 303.20432 185.8
[M-H]- 279.20782 191.2
[M+NH4]+ 298.24892 182.6
[M+K]+ 319.17826 186.2
[M+H-H2O]+ 263.21236 172.7
[M+HCOO]- 325.21330 192.5
[M+CH3COO]- 339.22895 188.5
[M+Na-2H]- 301.18977 181.4
[M]+ 280.21455 181.2
[M]- 280.21565 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.