CID 14593447

16020-15-8

Structural Information

Molecular Formula
C12H12O
SMILES
CC1(C=CC2=CC=CC=C2C1=O)C
InChI
InChI=1S/C12H12O/c1-12(2)8-7-9-5-3-4-6-10(9)11(12)13/h3-8H,1-2H3
InChIKey
MVWSDWVTRYPWLS-UHFFFAOYSA-N
Compound name
2,2-dimethylnaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 135.6
[M+Na]+ 195.07804 150.7
[M+NH4]+ 190.12264 147.4
[M+K]+ 211.05198 140.7
[M-H]- 171.08154 139.5
[M+Na-2H]- 193.06349 145.0
[M]+ 172.08827 139.2
[M]- 172.08937 139.2
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