CID 438367

Nsc633612

Structural Information

Molecular Formula
C13H18
SMILES
C1CCC2=C(CC1)C3=C2CCCC3
InChI
InChI=1S/C13H18/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13/h1-9H2
InChIKey
HFSVMSITQZKFRF-UHFFFAOYSA-N
Compound name
tricyclo[6.5.0.02,7]trideca-1(8),2(7)-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.14085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.148126 132.9
[M+Na]+ 197.130068 136.9
[M-H]- 173.133574 138.7
[M+NH4]+ 192.174673 148.1
[M+K]+ 213.104008 138.7
[M+H-H2O]+ 157.138110 125.8
[M+HCOO]- 219.139051 149.8
[M+CH3COO]- 233.154701 144.7
[M+Na-2H]- 195.115516 139.7
[M]+ 174.14030142 134.6
[M]- 174.14139858 134.6
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.