CID 12119264

628732-03-6

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC(=O)C2=C1C=CC=C2N
InChI
InChI=1S/C9H9NO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5,10H2
InChIKey
GZRHFGSCUQBJHR-UHFFFAOYSA-N
Compound name
7-amino-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

74
Patents

147.06842 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe