CID 97490

16244-15-8

Structural Information

Molecular Formula
C11H9NO
SMILES
C1CC(=O)C2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C11H9NO/c13-10-6-5-8-7-3-1-2-4-9(7)12-11(8)10/h1-4,12H,5-6H2
InChIKey
VFWIQXDDUMNRKG-UHFFFAOYSA-N
Compound name
2,4-dihydro-1H-cyclopenta[b]indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

171.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 133.7
[M+Na]+ 194.05764 144.7
[M-H]- 170.06114 137.6
[M+NH4]+ 189.10224 158.2
[M+K]+ 210.03158 140.1
[M+H-H2O]+ 154.06568 128.6
[M+HCOO]- 216.06662 156.6
[M+CH3COO]- 230.08227 148.3
[M+Na-2H]- 192.04309 139.7
[M]+ 171.06787 133.8
[M]- 171.06897 133.8
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