CID 10878073

150096-57-4

Structural Information

Molecular Formula
C14H12O
SMILES
CC1CC2=C(C1=O)C3=CC=CC=C3C=C2
InChI
InChI=1S/C14H12O/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14(9)15/h2-7,9H,8H2,1H3
InChIKey
WZQMTXDLOOIQDN-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

196.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.096096 140.7
[M+Na]+ 219.078038 150.8
[M-H]- 195.081544 146.7
[M+NH4]+ 214.122643 164.5
[M+K]+ 235.051978 146.3
[M+H-H2O]+ 179.086080 135.3
[M+HCOO]- 241.087021 163.1
[M+CH3COO]- 255.102671 155.1
[M+Na-2H]- 217.063486 146.7
[M]+ 196.08827142 141.1
[M]- 196.08936858 141.1
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