CID 3024604

4-(propylamino)piperidine-4-carboxamide

Structural Information

Molecular Formula
C9H19N3O
SMILES
CCCNC1(CCNCC1)C(=O)N
InChI
InChI=1S/C9H19N3O/c1-2-5-12-9(8(10)13)3-6-11-7-4-9/h11-12H,2-7H2,1H3,(H2,10,13)
InChIKey
KZMRRQMCXODLGO-UHFFFAOYSA-N
Compound name
4-(propylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.15282 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 143.6
[M+Na]+ 208.142038 146.7
[M-H]- 184.145544 142.9
[M+NH4]+ 203.186643 162.0
[M+K]+ 224.115978 144.8
[M+H-H2O]+ 168.150080 137.4
[M+HCOO]- 230.151021 161.8
[M+CH3COO]- 244.166671 183.3
[M+Na-2H]- 206.127486 147.9
[M]+ 185.15227142 135.7
[M]- 185.15336858 135.7
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

patents stripe