CID 340253

85372-39-0

Structural Information

Molecular Formula
C13H13NO
SMILES
C[C@]12CC(=C)[C@H]1C(=O)NC3=CC=CC=C23
InChI
InChI=1S/C13H13NO/c1-8-7-13(2)9-5-3-4-6-10(9)14-12(15)11(8)13/h3-6,11H,1,7H2,2H3,(H,14,15)/t11-,13+/m0/s1
InChIKey
SYKKYQFLKIRXBJ-WCQYABFASA-N
Compound name
(2aR,8bS)-8b-methyl-2-methylidene-2a,4-dihydro-1H-cyclobuta[c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.8
[M+Na]+ 222.08894 151.5
[M-H]- 198.09244 145.8
[M+NH4]+ 217.13354 158.2
[M+K]+ 238.06288 149.5
[M+H-H2O]+ 182.09698 132.4
[M+HCOO]- 244.09792 159.0
[M+CH3COO]- 258.11357 188.0
[M+Na-2H]- 220.07439 149.7
[M]+ 199.09917 148.8
[M]- 199.10027 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.