CID 11326

1,7-dimethylnaphthalene

Structural Information

Molecular Formula
C12H12
SMILES
CC1=CC2=C(C=CC=C2C=C1)C
InChI
InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3
InChIKey
SPUWFVKLHHEKGV-UHFFFAOYSA-N
Compound name
1,7-dimethylnaphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

940
Patents

156.0939 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.10118 131.0
[M+Na]+ 179.08312 147.4
[M+NH4]+ 174.12772 142.3
[M+K]+ 195.05706 138.4
[M-H]- 155.08662 135.9
[M+Na-2H]- 177.06857 140.5
[M]+ 156.09335 135.1
[M]- 156.09445 135.1
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