CID 9816893

Erogorgiaene

Structural Information

Molecular Formula
C20H30
SMILES
C[C@H]1CC[C@@H](C2=C1C=CC(=C2)C)[C@@H](C)CCC=C(C)C
InChI
InChI=1S/C20H30/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,9,11,13,16-17,19H,6,8,10,12H2,1-5H3/t16-,17-,19+/m0/s1
InChIKey
JWQVCYABIGUFIY-JENIJYKNSA-N
Compound name
(1S,4R)-1,6-dimethyl-4-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

24
Patents

270.23474 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.24202 169.2
[M+Na]+ 293.22396 173.9
[M-H]- 269.22746 172.6
[M+NH4]+ 288.26856 187.2
[M+K]+ 309.19790 169.3
[M+H-H2O]+ 253.23200 162.7
[M+HCOO]- 315.23294 185.2
[M+CH3COO]- 329.24859 206.3
[M+Na-2H]- 291.20941 168.2
[M]+ 270.23419 167.9
[M]- 270.23529 167.9
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