CID 240057

1-butyl-3-furfurylurea

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCCCNC(=O)NCC1=CC=CO1
InChI
InChI=1S/C10H16N2O2/c1-2-3-6-11-10(13)12-8-9-5-4-7-14-9/h4-5,7H,2-3,6,8H2,1H3,(H2,11,12,13)
InChIKey
FPTZKKLEZIKCLG-UHFFFAOYSA-N
Compound name
1-butyl-3-(furan-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 145.7
[M+Na]+ 219.110408 150.8
[M-H]- 195.113914 149.5
[M+NH4]+ 214.155013 164.7
[M+K]+ 235.084348 150.5
[M+H-H2O]+ 179.118450 138.9
[M+HCOO]- 241.119391 171.3
[M+CH3COO]- 255.135041 186.8
[M+Na-2H]- 217.095856 151.3
[M]+ 196.12064142 147.0
[M]- 196.12173858 147.0
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