CID 582327

4-methyl-1,2-dihydronaphthalene

Structural Information

Molecular Formula
C11H12
SMILES
CC1=CCCC2=CC=CC=C12
InChI
InChI=1S/C11H12/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-3,5-6,8H,4,7H2,1H3
InChIKey
NACZXFJTTCJDJR-UHFFFAOYSA-N
Compound name
4-methyl-1,2-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

144.0939 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.101176 127.6
[M+Na]+ 167.083118 135.6
[M-H]- 143.086624 132.2
[M+NH4]+ 162.127723 150.4
[M+K]+ 183.057058 132.7
[M+H-H2O]+ 127.091160 122.1
[M+HCOO]- 189.092101 150.1
[M+CH3COO]- 203.107751 141.9
[M+Na-2H]- 165.068566 136.5
[M]+ 144.09335142 125.9
[M]- 144.09444858 125.9
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