CID 736004

10333-11-6

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CCC2=C(C1)CCC(=O)N2
InChI
InChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H2,(H,10,11)
InChIKey
QKNPGPYFWRUKRM-UHFFFAOYSA-N
Compound name
3,4,5,6,7,8-hexahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

151.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.5
[M+Na]+ 174.08894 144.0
[M+NH4]+ 169.13354 141.9
[M+K]+ 190.06288 137.3
[M-H]- 150.09244 134.3
[M+Na-2H]- 172.07439 137.4
[M]+ 151.09917 134.5
[M]- 151.10027 134.5
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