CID 6370843

(1z,4z)-germacrene b

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C/CC/C(=C\CC(=C(C)C)CC1)/C
InChI
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6-,14-9-
InChIKey
GXEGJTGWYVZSNR-OMQMMEOVSA-N
Compound name
(1Z,5Z)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

947
Patents

204.1878 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 147.0
[M+Na]+ 227.17702 152.4
[M-H]- 203.18052 147.7
[M+NH4]+ 222.22162 164.1
[M+K]+ 243.15096 150.4
[M+H-H2O]+ 187.18506 144.6
[M+HCOO]- 249.18600 165.7
[M+CH3COO]- 263.20165 185.7
[M+Na-2H]- 225.16247 147.6
[M]+ 204.18725 141.2
[M]- 204.18835 141.2
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