CID 5316074

Alpha-corocalene

Structural Information

Molecular Formula
C15H20
SMILES
CC1=CC2=C(C=CC(=C2CC1)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/h6,8-10H,5,7H2,1-4H3
InChIKey
VTUZIFHLLUSULC-UHFFFAOYSA-N
Compound name
3,8-dimethyl-5-propan-2-yl-1,2-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
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 146.2
[M+Na]+ 223.14572 161.0
[M+NH4]+ 218.19032 156.8
[M+K]+ 239.11966 152.5
[M-H]- 199.14922 150.6
[M+Na-2H]- 221.13117 153.2
[M]+ 200.15595 149.8
[M]- 200.15705 149.8
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