CID 131752045

Delta-patchoulene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1CC=C2C1CC3CCC2(C3(C)C)C

InChI

InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h6,10-12H,5,7-9H2,1-4H3

InChIKey

CGKPYZICXYDFLF-UHFFFAOYSA-N

Compound name

1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 204.1878 Da
Monoisotopic Mass: 4.7
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]+	205.19508	151.1
[M+Na]+	227.17702	159.8
[M-H]-	203.18052	155.1
[M+NH4]+	222.22162	181.0
[M+K]+	243.15096	155.3
[M+H-H2O]+	187.18506	147.4
[M+HCOO]-	249.18600	168.7
[M+CH3COO]-	263.20165	164.2
[M+Na-2H]-	225.16247	153.8
[M]+	204.18725	149.8
[M]-	204.18835	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe