CID 312895

69975-65-1

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC(=O)C2=C1C=CC(=C2)N
InChI
InChI=1S/C9H9NO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4,10H2
InChIKey
UOJCPAAEKXNPQT-UHFFFAOYSA-N
Compound name
6-amino-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

147.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 128.1
[M+Na]+ 170.05764 139.9
[M+NH4]+ 165.10224 137.8
[M+K]+ 186.03158 135.2
[M-H]- 146.06114 131.0
[M+Na-2H]- 168.04309 133.8
[M]+ 147.06787 130.4
[M]- 147.06897 130.4
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

patents stripe