CID 5375405

(e)-1,2,3-trimethyl-4-propenylnaphthalene

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

1
Patents

210.14085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 146.7
[M+Na]+ 233.130068 156.9
[M-H]- 209.133574 152.0
[M+NH4]+ 228.174673 167.9
[M+K]+ 249.104008 152.0
[M+H-H2O]+ 193.138110 141.1
[M+HCOO]- 255.139051 169.2
[M+CH3COO]- 269.154701 193.0
[M+Na-2H]- 231.115516 151.9
[M]+ 210.14030142 148.7
[M]- 210.14139858 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

patents stripe