CID 6432312

Gamma-elemene

Structural Information

Molecular Formula
C15H24
SMILES
CC(=C1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C)C
InChI
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m0/s1
InChIKey
BQSLMQNYHVFRDT-LSDHHAIUSA-N
Compound name
(1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

544
Patents

204.1878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 148.5
[M+Na]+ 227.17702 153.7
[M-H]- 203.18052 151.5
[M+NH4]+ 222.22162 169.9
[M+K]+ 243.15096 150.5
[M+H-H2O]+ 187.18506 144.3
[M+HCOO]- 249.18600 165.4
[M+CH3COO]- 263.20165 190.9
[M+Na-2H]- 225.16247 148.3
[M]+ 204.18725 144.0
[M]- 204.18835 144.0
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