CID 101596917

Beta-maaliene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C2[C@H]3[C@H](C3(C)C)CC[C@@]2(CCC1)C
InChI
InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11,13H,5-9H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey
UPGLJTCDRBIZKP-KYOSRNDESA-N
Compound name
(1aR,3aS,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,6,7b-hexahydro-1aH-cyclopropa[a]naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

204.1878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 150.7
[M+Na]+ 227.177018 160.2
[M-H]- 203.180524 156.7
[M+NH4]+ 222.221623 171.3
[M+K]+ 243.150958 157.5
[M+H-H2O]+ 187.185060 145.7
[M+HCOO]- 249.186001 166.3
[M+CH3COO]- 263.201651 163.0
[M+Na-2H]- 225.162466 156.3
[M]+ 204.18725142 151.3
[M]- 204.18834858 151.3
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