CID 5375405

26137-53-1

Structural Information

Molecular Formula
C16H18
SMILES
C/C=C/C1=C(C(=C(C2=CC=CC=C21)C)C)C
InChI
InChI=1S/C16H18/c1-5-8-14-12(3)11(2)13(4)15-9-6-7-10-16(14)15/h5-10H,1-4H3/b8-5+
InChIKey
GIAJIAFLVKUTLY-VMPITWQZSA-N
Compound name
1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 146.7
[M+Na]+ 233.13007 156.9
[M-H]- 209.13357 152.0
[M+NH4]+ 228.17467 167.9
[M+K]+ 249.10401 152.0
[M+H-H2O]+ 193.13811 141.1
[M+HCOO]- 255.13905 169.2
[M+CH3COO]- 269.15470 193.0
[M+Na-2H]- 231.11552 151.9
[M]+ 210.14030 148.7
[M]- 210.14140 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.