CID 608753

Beta-vatirenene

Structural Information

Molecular Formula

C₁₅H₂₂

SMILES

CC1CC=CC2=CCC(=C(C)C)CC12C

InChI

InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3

InChIKey

QSUQBXKPPUWLTH-UHFFFAOYSA-N

Compound name

1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 202.17215 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.17943	147.9
[M+Na]+	225.16137	154.1
[M-H]-	201.16487	151.9
[M+NH4]+	220.20597	170.5
[M+K]+	241.13531	150.7
[M+H-H2O]+	185.16941	142.6
[M+HCOO]-	247.17035	165.2
[M+CH3COO]-	261.18600	189.1
[M+Na-2H]-	223.14682	151.6
[M]+	202.17160	143.9
[M]-	202.17270	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe