CID 12313020

Gamma-muurolene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C[C@@H]2[C@H](CC1)C(=C)CC[C@H]2C(C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1
InChIKey
WRHGORWNJGOVQY-ZNMIVQPWSA-N
Compound name
(1S,4aS,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

1076
Patents

204.1878 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 149.2
[M+Na]+ 227.177018 154.2
[M-H]- 203.180524 152.7
[M+NH4]+ 222.221623 169.7
[M+K]+ 243.150958 150.8
[M+H-H2O]+ 187.185060 143.6
[M+HCOO]- 249.186001 164.9
[M+CH3COO]- 263.201651 191.8
[M+Na-2H]- 225.162466 150.1
[M]+ 204.18725142 143.9
[M]- 204.18834858 143.9
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