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]+ 218.128776 147.2
[M+Na]+ 240.110718 153.6
[M-H]- 216.114224 152.6
[M+NH4]+ 235.155323 168.2
[M+K]+ 256.084658 150.9
[M+H-H2O]+ 200.118760 140.5
[M+HCOO]- 262.119701 173.5
[M+CH3COO]- 276.135351 197.0
[M+Na-2H]- 238.096166 151.7
[M]+ 217.12095142 145.0
[M]- 217.12204858 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.