CID 588771

Isolongifolene, 4,5,9,10-dehydro-

Structural Information

Molecular Formula
C15H20
SMILES
CC1(C=CC=C2C13CC(C2(C)C)C=C3)C
InChI
InChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3
InChIKey
MOLSSUUBCUMURN-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16378 145.1
[M+Na]+ 223.14572 156.8
[M+NH4]+ 218.19032 160.5
[M+K]+ 239.11966 146.8
[M-H]- 199.14922 148.0
[M+Na-2H]- 221.13117 153.1
[M]+ 200.15595 148.2
[M]- 200.15705 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.