CID 53439065

Db-263278

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1=CCC2(C1C2)C(C)CCC=C(C)C

InChI

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

InChIKey

UCQHFDKBUHCAFR-UHFFFAOYSA-N

Compound name

2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 146
Patents: 204.1878 Da
Monoisotopic Mass: 4.8
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	150.3
[M+Na]+	227.17702	158.7
[M-H]-	203.18052	155.3
[M+NH4]+	222.22162	169.6
[M+K]+	243.15096	155.2
[M+H-H2O]+	187.18506	145.7
[M+HCOO]-	249.18600	169.9
[M+CH3COO]-	263.20165	193.7
[M+Na-2H]-	225.16247	152.3
[M]+	204.18725	154.1
[M]-	204.18835	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe