CID 64796

553-03-7

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC(=O)NC2=CC=CC=C21
InChI
InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
InChIKey
TZOYXRMEFDYWDQ-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

10058
Patents

147.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 127.8
[M+Na]+ 170.05764 135.5
[M-H]- 146.06114 129.4
[M+NH4]+ 165.10224 148.1
[M+K]+ 186.03158 132.1
[M+H-H2O]+ 130.06568 121.7
[M+HCOO]- 192.06662 147.1
[M+CH3COO]- 206.08227 140.8
[M+Na-2H]- 168.04309 136.3
[M]+ 147.06787 123.4
[M]- 147.06897 123.4
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