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]+ 169.097146 137.0
[M+Na]+ 191.079088 143.2
[M-H]- 167.082594 142.8
[M+NH4]+ 186.123693 157.9
[M+K]+ 207.053028 144.8
[M+H-H2O]+ 151.087130 130.6
[M+HCOO]- 213.088071 163.8
[M+CH3COO]- 227.103721 184.2
[M+Na-2H]- 189.064536 142.9
[M]+ 168.08932142 138.9
[M]- 168.09041858 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