CID 74592

1830-56-4

Structural Information

Molecular Formula
C13H11NO
SMILES
CCN1C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C13H11NO/c1-2-14-11-8-4-6-9-5-3-7-10(12(9)11)13(14)15/h3-8H,2H2,1H3
InChIKey
BYZKRKXJSNSHEE-UHFFFAOYSA-N
Compound name
1-ethylbenzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

74
Patents

197.08406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 141.5
[M+Na]+ 220.07328 152.0
[M-H]- 196.07678 145.6
[M+NH4]+ 215.11788 164.3
[M+K]+ 236.04722 147.8
[M+H-H2O]+ 180.08132 135.3
[M+HCOO]- 242.08226 163.0
[M+CH3COO]- 256.09791 155.6
[M+Na-2H]- 218.05873 148.4
[M]+ 197.08351 144.0
[M]- 197.08461 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe