CID 529621

Beta-calacorene

Structural Information

Molecular Formula
C15H20
SMILES
CC1=CC2=C(C=C1)C(=C)CCC2C(C)C
InChI
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,13H,4,6,8H2,1-3H3
InChIKey
KFYISTOZYAKAPV-UHFFFAOYSA-N
Compound name
7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

200.1565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16378 145.6
[M+Na]+ 223.14572 152.7
[M-H]- 199.14922 149.9
[M+NH4]+ 218.19032 166.5
[M+K]+ 239.11966 148.9
[M+H-H2O]+ 183.15376 140.0
[M+HCOO]- 245.15470 164.4
[M+CH3COO]- 259.17035 191.0
[M+Na-2H]- 221.13117 148.7
[M]+ 200.15595 143.3
[M]- 200.15705 143.3
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