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

10
Patents

171.13716 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 139.8
[M+Na]+ 194.126378 142.5
[M-H]- 170.129884 139.5
[M+NH4]+ 189.170983 157.1
[M+K]+ 210.100318 140.9
[M+H-H2O]+ 154.134420 132.8
[M+HCOO]- 216.135361 159.0
[M+CH3COO]- 230.151011 179.9
[M+Na-2H]- 192.111826 144.5
[M]+ 171.13661142 132.1
[M]- 171.13770858 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