CID 10442928

Hirsutene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@]12[C@H](CCC1=C)C[C@@H]3[C@H]2CC(C3)(C)C
InChI
InChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m0/s1
InChIKey
XEORYLRYWDQOAT-KYEXWDHISA-N
Compound name
(3aR,3bR,6aS,7aR)-3a,5,5-trimethyl-3-methylidene-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

30
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 153.6
[M+Na]+ 227.17702 162.0
[M-H]- 203.18052 158.9
[M+NH4]+ 222.22162 184.1
[M+K]+ 243.15096 157.2
[M+H-H2O]+ 187.18506 150.6
[M+HCOO]- 249.18600 172.3
[M+CH3COO]- 263.20165 166.7
[M+Na-2H]- 225.16247 153.0
[M]+ 204.18725 150.5
[M]- 204.18835 150.5
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