CID 28738011

1338222-56-2

Structural Information

Molecular Formula
C9H19N3O
SMILES
CC(C)NC(=O)N[C@H]1CCCNC1
InChI
InChI=1S/C9H19N3O/c1-7(2)11-9(13)12-8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3,(H2,11,12,13)/t8-/m0/s1
InChIKey
MTBPWAKLDMVDLC-QMMMGPOBSA-N
Compound name
1-[(3S)-piperidin-3-yl]-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.15282 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 145.0
[M+Na]+ 208.142038 147.0
[M-H]- 184.145544 144.6
[M+NH4]+ 203.186643 161.7
[M+K]+ 224.115978 145.6
[M+H-H2O]+ 168.150080 137.9
[M+HCOO]- 230.151021 162.8
[M+CH3COO]- 244.166671 183.9
[M+Na-2H]- 206.127486 147.8
[M]+ 185.15227142 136.9
[M]- 185.15336858 136.9
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.