CID 42772

1-methylacenaphthylene

Structural Information

Molecular Formula
C13H10
SMILES
CC1=CC2=CC=CC3=C2C1=CC=C3
InChI
InChI=1S/C13H10/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11/h2-8H,1H3
InChIKey
QALUZRZBRMSBPM-UHFFFAOYSA-N
Compound name
1-methylacenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

166.07825 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.085526 133.0
[M+Na]+ 189.067468 143.6
[M-H]- 165.070974 138.7
[M+NH4]+ 184.112073 158.4
[M+K]+ 205.041408 139.3
[M+H-H2O]+ 149.075510 127.9
[M+HCOO]- 211.076451 157.0
[M+CH3COO]- 225.092101 148.2
[M+Na-2H]- 187.052916 141.8
[M]+ 166.07770142 135.3
[M]- 166.07879858 135.3
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