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 146.3
[M+Na]+ 223.14572 157.1
[M-H]- 199.14922 152.0
[M+NH4]+ 218.19032 177.9
[M+K]+ 239.11966 152.4
[M+H-H2O]+ 183.15376 142.4
[M+HCOO]- 245.15470 167.4
[M+CH3COO]- 259.17035 160.9
[M+Na-2H]- 221.13117 152.4
[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

patents stripe