CID 610872

Guwonitujmnjpa-uhfffaoysa-n

Structural Information

Molecular Formula
C16H18
SMILES
CC1=CC=CC=C(C1)C2=CC=CC=C(C2)C
InChI
InChI=1S/C16H18/c1-13-7-3-5-9-15(11-13)16-10-6-4-8-14(2)12-16/h3-10H,11-12H2,1-2H3
InChIKey
GUWONITUJMNJPA-UHFFFAOYSA-N
Compound name
1-methyl-6-(6-methylcyclohepta-1,3,5-trien-1-yl)cyclohepta-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 151.5
[M+Na]+ 233.130068 158.0
[M-H]- 209.133574 160.2
[M+NH4]+ 228.174673 167.2
[M+K]+ 249.104008 159.5
[M+H-H2O]+ 193.138110 149.1
[M+HCOO]- 255.139051 171.6
[M+CH3COO]- 269.154701 162.7
[M+Na-2H]- 231.115516 155.6
[M]+ 210.14030142 147.4
[M]- 210.14139858 147.4
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.