CID 317664

4169-27-1

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCC2C(C1)CCC(=O)N2
InChI
InChI=1S/C9H15NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h7-8H,1-6H2,(H,10,11)
InChIKey
OBSYXAXPUGVQSN-UHFFFAOYSA-N
Compound name
3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

153.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 133.6
[M+Na]+ 176.104588 138.0
[M-H]- 152.108094 134.0
[M+NH4]+ 171.149193 153.3
[M+K]+ 192.078528 135.3
[M+H-H2O]+ 136.112630 127.3
[M+HCOO]- 198.113571 148.3
[M+CH3COO]- 212.129221 172.9
[M+Na-2H]- 174.090036 138.7
[M]+ 153.11482142 124.8
[M]- 153.11591858 124.8
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