CID 9574418

2-ethyl-1-indanone, semicarbazone

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCC\1CC2=CC=CC=C2/C1=N\NC(=O)N
InChI
InChI=1S/C12H15N3O/c1-2-8-7-9-5-3-4-6-10(9)11(8)14-15-12(13)16/h3-6,8H,2,7H2,1H3,(H3,13,15,16)/b14-11-
InChIKey
NRCIVKYCAJTHQO-KAMYIIQDSA-N
Compound name
[(Z)-(2-ethyl-2,3-dihydroinden-1-ylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.2
[M+Na]+ 240.11072 153.6
[M-H]- 216.11422 152.6
[M+NH4]+ 235.15532 168.2
[M+K]+ 256.08466 150.9
[M+H-H2O]+ 200.11876 140.5
[M+HCOO]- 262.11970 173.5
[M+CH3COO]- 276.13535 197.0
[M+Na-2H]- 238.09617 151.7
[M]+ 217.12095 145.0
[M]- 217.12205 145.0
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.