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 140.6
[M+Na]+ 211.10934 147.5
[M-H]- 187.11284 144.8
[M+NH4]+ 206.15394 161.6
[M+K]+ 227.08328 144.7
[M+H-H2O]+ 171.11738 134.9
[M+HCOO]- 233.11832 160.3
[M+CH3COO]- 247.13397 185.8
[M+Na-2H]- 209.09479 145.4
[M]+ 188.11957 138.7
[M]- 188.12067 138.7
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