CID 15959215

6-chloro-1a-(hydroxymethyl)-7b-propyl-1,3-dihydrocyclopropa[c]quinolin-2-one

Structural Information

Molecular Formula
C14H16ClNO2
SMILES
CCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)CO
InChI
InChI=1S/C14H16ClNO2/c1-2-5-13-7-14(13,8-17)12(18)16-11-4-3-9(15)6-10(11)13/h3-4,6,17H,2,5,7-8H2,1H3,(H,16,18)
InChIKey
YTXFPFSULDJTMJ-UHFFFAOYSA-N
Compound name
6-chloro-1a-(hydroxymethyl)-7b-propyl-1,3-dihydrocyclopropa[c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.08694 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09422 160.5
[M+Na]+ 288.07616 172.3
[M-H]- 264.07966 162.7
[M+NH4]+ 283.12076 176.8
[M+K]+ 304.05010 166.0
[M+H-H2O]+ 248.08420 156.2
[M+HCOO]- 310.08514 171.5
[M+CH3COO]- 324.10079 171.5
[M+Na-2H]- 286.06161 167.4
[M]+ 265.08639 164.8
[M]- 265.08749 164.8
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

No patent data available for this compound.