CID 25202482

Sesquisabinene

Structural Information

Molecular Formula
C15H24
SMILES
CC(CCC=C(C)C)C12CCC(=C)C1C2
InChI
InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3
InChIKey
DYUSFBWNOCHOFP-UHFFFAOYSA-N
Compound name
1-(6-methylhept-5-en-2-yl)-4-methylidenebicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

40
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.1
[M+Na]+ 227.17702 158.7
[M-H]- 203.18052 155.8
[M+NH4]+ 222.22162 170.2
[M+K]+ 243.15096 154.9
[M+H-H2O]+ 187.18506 146.6
[M+HCOO]- 249.18600 169.3
[M+CH3COO]- 263.20165 193.2
[M+Na-2H]- 225.16247 152.1
[M]+ 204.18725 152.8
[M]- 204.18835 152.8
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