CID 84566

1,3-dipiperidinourea

Structural Information

Molecular Formula
C11H22N4O
SMILES
C1CCN(CC1)NC(=O)NN2CCCCC2
InChI
InChI=1S/C11H22N4O/c16-11(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H2,(H2,12,13,16)
InChIKey
MTQTYGHVBJMNPG-UHFFFAOYSA-N
Compound name
1,3-di(piperidin-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

226.17937 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.18665 153.6
[M+Na]+ 249.16859 153.6
[M-H]- 225.17209 155.2
[M+NH4]+ 244.21319 167.3
[M+K]+ 265.14253 151.9
[M+H-H2O]+ 209.17663 144.0
[M+HCOO]- 271.17757 169.1
[M+CH3COO]- 285.19322 191.2
[M+Na-2H]- 247.15404 157.0
[M]+ 226.17882 142.6
[M]- 226.17992 142.6
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