CID 59826993

1-(2,3-dihydro-1h-inden-5-yl)-3-methylurea

Structural Information

Molecular Formula
C11H14N2O
SMILES
CNC(=O)NC1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C11H14N2O/c1-12-11(14)13-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3,(H2,12,13,14)
InChIKey
ZLOZVYCGVQAXDC-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 140.5
[M+Na]+ 213.099828 146.7
[M-H]- 189.103334 144.9
[M+NH4]+ 208.144433 162.4
[M+K]+ 229.073768 144.2
[M+H-H2O]+ 173.107870 134.5
[M+HCOO]- 235.108811 165.1
[M+CH3COO]- 249.124461 186.6
[M+Na-2H]- 211.085276 146.4
[M]+ 190.11006142 138.1
[M]- 190.11115858 138.1
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