CID 59833286

3-methyl-1-(1-methylpiperidin-4-yl)urea

Structural Information

Molecular Formula
C8H17N3O
SMILES
CNC(=O)NC1CCN(CC1)C
InChI
InChI=1S/C8H17N3O/c1-9-8(12)10-7-3-5-11(2)6-4-7/h7H,3-6H2,1-2H3,(H2,9,10,12)
InChIKey
SCHUXUBXKBRDDQ-UHFFFAOYSA-N
Compound name
1-methyl-3-(1-methylpiperidin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

171.13716 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 139.7
[M+Na]+ 194.12638 143.8
[M-H]- 170.12988 141.2
[M+NH4]+ 189.17098 158.0
[M+K]+ 210.10032 143.0
[M+H-H2O]+ 154.13442 132.7
[M+HCOO]- 216.13536 160.4
[M+CH3COO]- 230.15101 183.6
[M+Na-2H]- 192.11183 144.0
[M]+ 171.13661 134.2
[M]- 171.13771 134.2
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