CID 5386448

2-methyl-1-indanone, semicarbazone

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC\1CC2=CC=CC=C2/C1=N\NC(=O)N
InChI
InChI=1S/C11H13N3O/c1-7-6-8-4-2-3-5-9(8)10(7)13-14-11(12)15/h2-5,7H,6H2,1H3,(H3,12,14,15)/b13-10-
InChIKey
BQNAUZPOUWSYQT-RAXLEYEMSA-N
Compound name
[(Z)-(2-methyl-2,3-dihydroinden-1-ylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 142.6
[M+Na]+ 226.09509 149.5
[M-H]- 202.09859 148.2
[M+NH4]+ 221.13969 164.2
[M+K]+ 242.06903 147.0
[M+H-H2O]+ 186.10313 136.1
[M+HCOO]- 248.10407 169.2
[M+CH3COO]- 262.11972 194.0
[M+Na-2H]- 224.08054 147.6
[M]+ 203.10532 140.0
[M]- 203.10642 140.0
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.