CID 98209

1,2,3,4-tetrahydro-1-methylnaphthalen-2-one

Structural Information

Molecular Formula
C11H12O
SMILES
CC1C(=O)CCC2=CC=CC=C12
InChI
InChI=1S/C11H12O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8H,6-7H2,1H3
InChIKey
VGZQKUJGVYFKBP-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

211
Patents

160.08882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 131.0
[M+Na]+ 183.078038 139.2
[M-H]- 159.081544 135.6
[M+NH4]+ 178.122643 153.2
[M+K]+ 199.051978 136.4
[M+H-H2O]+ 143.086080 125.6
[M+HCOO]- 205.087021 152.4
[M+CH3COO]- 219.102671 178.9
[M+Na-2H]- 181.063486 138.2
[M]+ 160.08827142 129.0
[M]- 160.08936858 129.0
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