CID 4251421

41816-68-6

Structural Information

Molecular Formula
C13H16O
SMILES
CC(C)C1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C13H16O/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14/h3-6,9,11H,7-8H2,1-2H3
InChIKey
QIPFDLNTNZBKOU-UHFFFAOYSA-N
Compound name
2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

188.12012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 141.4
[M+Na]+ 211.10934 154.8
[M+NH4]+ 206.15394 151.4
[M+K]+ 227.08328 147.2
[M-H]- 187.11284 144.8
[M+Na-2H]- 209.09479 147.7
[M]+ 188.11957 144.3
[M]- 188.12067 144.3
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

patents stripe