CID 312895

6-amino-2,3-dihydro-1h-inden-1-one

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

247
Patents

147.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 127.2
[M+Na]+ 170.057638 136.4
[M-H]- 146.061144 131.9
[M+NH4]+ 165.102243 151.3
[M+K]+ 186.031578 133.5
[M+H-H2O]+ 130.065680 122.3
[M+HCOO]- 192.066621 151.9
[M+CH3COO]- 206.082271 176.5
[M+Na-2H]- 168.043086 133.3
[M]+ 147.06787142 125.1
[M]- 147.06896858 125.1
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