CID 22170214

51135-91-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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 127.2
[M+Na]+ 170.05764 136.4
[M-H]- 146.06114 131.9
[M+NH4]+ 165.10224 151.3
[M+K]+ 186.03158 133.5
[M+H-H2O]+ 130.06568 122.3
[M+HCOO]- 192.06662 151.9
[M+CH3COO]- 206.08227 176.5
[M+Na-2H]- 168.04309 133.3
[M]+ 147.06787 125.1
[M]- 147.06897 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