CID 81907473

2044745-32-4

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

16
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 139.8
[M+Na]+ 194.12638 142.5
[M-H]- 170.12988 139.5
[M+NH4]+ 189.17098 157.1
[M+K]+ 210.10032 140.9
[M+H-H2O]+ 154.13442 132.8
[M+HCOO]- 216.13536 159.0
[M+CH3COO]- 230.15101 179.9
[M+Na-2H]- 192.11183 144.5
[M]+ 171.13661 132.1
[M]- 171.13771 132.1
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