CID 392997

Nsc694248

Structural Information

Molecular Formula
C21H22
SMILES
CCCCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C21H22/c1-2-3-4-5-14-21-19-12-8-6-10-17(19)15-16-18-11-7-9-13-20(18)21/h6-16H,2-5H2,1H3
InChIKey
SBLSDOWMAIEJNN-UHFFFAOYSA-N
Compound name
2-hexylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.17215 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17943 165.0
[M+Na]+ 297.16137 171.3
[M-H]- 273.16487 171.0
[M+NH4]+ 292.20597 182.6
[M+K]+ 313.13531 168.5
[M+H-H2O]+ 257.16941 160.2
[M+HCOO]- 319.17035 185.0
[M+CH3COO]- 333.18600 176.1
[M+Na-2H]- 295.14682 171.1
[M]+ 274.17160 163.5
[M]- 274.17270 163.5
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.