CID 96716

4-(isopropylamino)piperidine-4-carboxamide

Structural Information

Molecular Formula
C9H19N3O
SMILES
CC(C)NC1(CCNCC1)C(=O)N
InChI
InChI=1S/C9H19N3O/c1-7(2)12-9(8(10)13)3-5-11-6-4-9/h7,11-12H,3-6H2,1-2H3,(H2,10,13)
InChIKey
NXDRIGBDGHDLNG-UHFFFAOYSA-N
Compound name
4-(propan-2-ylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

30
Patents

185.15282 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 144.3
[M+Na]+ 208.142038 147.2
[M-H]- 184.145544 143.7
[M+NH4]+ 203.186643 162.7
[M+K]+ 224.115978 145.8
[M+H-H2O]+ 168.150080 138.3
[M+HCOO]- 230.151021 161.5
[M+CH3COO]- 244.166671 184.2
[M+Na-2H]- 206.127486 147.3
[M]+ 185.15227142 135.8
[M]- 185.15336858 135.8
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