CID 5315609

(s)-gamma-calacorene

Structural Information

Molecular Formula
C15H20
SMILES
CC1CC=C(C2=C1C=CC(=C2)C)C(C)C
InChI
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3
InChIKey
YLIAZCIBLKJTKN-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

200.1565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16378 145.6
[M+Na]+ 223.14572 153.4
[M-H]- 199.14922 150.2
[M+NH4]+ 218.19032 166.7
[M+K]+ 239.11966 150.1
[M+H-H2O]+ 183.15376 139.9
[M+HCOO]- 245.15470 165.6
[M+CH3COO]- 259.17035 191.5
[M+Na-2H]- 221.13117 149.6
[M]+ 200.15595 145.5
[M]- 200.15705 145.5
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