CID 74427712

(-)-nootkatene

Structural Information

Molecular Formula
C15H22
SMILES
CC1CC=CC2=CCC(CC12C)C(=C)C
InChI
InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12-13H,1,6,8,10H2,2-4H3
InChIKey
RSKODCFDTXJUBN-UHFFFAOYSA-N
Compound name
8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

202.17215 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 147.7
[M+Na]+ 225.161368 153.8
[M-H]- 201.164874 151.6
[M+NH4]+ 220.205973 170.2
[M+K]+ 241.135308 150.4
[M+H-H2O]+ 185.169410 142.3
[M+HCOO]- 247.170351 165.0
[M+CH3COO]- 261.186001 189.7
[M+Na-2H]- 223.146816 151.4
[M]+ 202.17160142 143.8
[M]- 202.17269858 143.8
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