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]+ 191.11789 140.5
[M+Na]+ 213.09983 146.7
[M-H]- 189.10333 144.9
[M+NH4]+ 208.14443 162.4
[M+K]+ 229.07377 144.2
[M+H-H2O]+ 173.10787 134.5
[M+HCOO]- 235.10881 165.1
[M+CH3COO]- 249.12446 186.6
[M+Na-2H]- 211.08528 146.4
[M]+ 190.11006 138.1
[M]- 190.11116 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