CID 81907473

3-methyl-1-[(piperidin-4-yl)methyl]urea hydrochloride

Structural Information

Molecular Formula
C8H17N3O
SMILES
CNC(=O)NCC1CCNCC1
InChI
InChI=1S/C8H17N3O/c1-9-8(12)11-6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H2,9,11,12)
InChIKey
FWUDIPGDIBVLGN-UHFFFAOYSA-N
Compound name
1-methyl-3-(piperidin-4-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

171.13716 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 139.9
[M+Na]+ 194.12638 147.1
[M+NH4]+ 189.17098 146.8
[M+K]+ 210.10032 142.4
[M-H]- 170.12988 140.8
[M+Na-2H]- 192.11183 143.4
[M]+ 171.13661 140.5
[M]- 171.13771 140.5
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