CID 99195

1,1-dimethyl-3-furfurylurea

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CN(C)C(=O)NCC1=CC=CO1
InChI
InChI=1S/C8H12N2O2/c1-10(2)8(11)9-6-7-4-3-5-12-7/h3-5H,6H2,1-2H3,(H,9,11)
InChIKey
OBWYFVTZRZQKNQ-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 137.2
[M+Na]+ 191.07909 146.0
[M+NH4]+ 186.12369 144.7
[M+K]+ 207.05303 143.8
[M-H]- 167.08259 140.2
[M+Na-2H]- 189.06454 141.9
[M]+ 168.08932 138.9
[M]- 168.09042 138.9
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