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]+ 186.16010 145.0
[M+Na]+ 208.14204 147.0
[M-H]- 184.14554 144.6
[M+NH4]+ 203.18664 161.7
[M+K]+ 224.11598 145.6
[M+H-H2O]+ 168.15008 137.9
[M+HCOO]- 230.15102 162.8
[M+CH3COO]- 244.16667 183.9
[M+Na-2H]- 206.12749 147.8
[M]+ 185.15227 136.9
[M]- 185.15337 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.