CID 595094

Beta-neoclovene

Structural Information

Molecular Formula
C15H24
SMILES
CC1(CC23CCC1C2(CCCC3=C)C)C
InChI
InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h12H,1,5-10H2,2-4H3
InChIKey
BUDWHMNUSAOQBI-UHFFFAOYSA-N
Compound name
6,8,8-trimethyl-2-methylidenetricyclo[5.2.2.01,6]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
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 149.7
[M+Na]+ 227.17702 157.4
[M-H]- 203.18052 155.0
[M+NH4]+ 222.22162 180.0
[M+K]+ 243.15096 152.8
[M+H-H2O]+ 187.18506 145.6
[M+HCOO]- 249.18600 167.1
[M+CH3COO]- 263.20165 162.6
[M+Na-2H]- 225.16247 152.1
[M]+ 204.18725 145.6
[M]- 204.18835 145.6
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