CID 209743

Urea, 1-(3-indenyl)-3-propyl-

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCCNC(=O)NC1=CCC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O/c1-2-9-14-13(16)15-12-8-7-10-5-3-4-6-11(10)12/h3-6,8H,2,7,9H2,1H3,(H2,14,15,16)
InChIKey
KWDAPKDOKOFSGV-UHFFFAOYSA-N
Compound name
1-(3H-inden-1-yl)-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.5
[M+Na]+ 239.11549 154.8
[M-H]- 215.11899 152.9
[M+NH4]+ 234.16009 169.4
[M+K]+ 255.08943 151.6
[M+H-H2O]+ 199.12353 142.0
[M+HCOO]- 261.12447 173.9
[M+CH3COO]- 275.14012 192.4
[M+Na-2H]- 237.10094 154.2
[M]+ 216.12572 148.2
[M]- 216.12682 148.2
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

No patent data available for this compound.