CID 530816

Alpha-bourbonene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCC2C1C3C2(CCC3C(C)C)C
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h5,9,11-14H,6-8H2,1-4H3
InChIKey
FAIMMSRDTUMTQR-UHFFFAOYSA-N
Compound name
3,7-dimethyl-10-propan-2-yltricyclo[5.3.0.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

796
Patents

204.1878 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.2
[M+Na]+ 227.17702 158.0
[M-H]- 203.18052 156.9
[M+NH4]+ 222.22162 172.0
[M+K]+ 243.15096 157.0
[M+H-H2O]+ 187.18506 143.9
[M+HCOO]- 249.18600 169.2
[M+CH3COO]- 263.20165 194.6
[M+Na-2H]- 225.16247 151.3
[M]+ 204.18725 159.6
[M]- 204.18835 159.6
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