CID 10225

Cadalene

Structural Information

Molecular Formula
C15H18
SMILES
CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C
InChI
InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3
InChIKey
VMOJIHDTVZTGDO-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-propan-2-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

327
Patents

198.14085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14813 144.0
[M+Na]+ 221.13007 152.9
[M-H]- 197.13357 149.1
[M+NH4]+ 216.17467 165.3
[M+K]+ 237.10401 149.4
[M+H-H2O]+ 181.13811 138.3
[M+HCOO]- 243.13905 165.5
[M+CH3COO]- 257.15470 191.2
[M+Na-2H]- 219.11552 149.1
[M]+ 198.14030 145.4
[M]- 198.14140 145.4
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