CID 54247981

Jasmin absolute

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC=CCC1=C(CCC1)C

InChI

InChI=1S/C10H16/c1-3-4-7-10-8-5-6-9(10)2/h3-4H,5-8H2,1-2H3

InChIKey

QUQOZOBHIUEDSV-UHFFFAOYSA-N

Compound name

1-but-2-enyl-2-methylcyclopentene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 49
References: 3282
Patents: 136.1252 Da
Monoisotopic Mass: 2.7
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]+	137.13248	131.2
[M+Na]+	159.11442	138.5
[M-H]-	135.11792	134.6
[M+NH4]+	154.15902	155.2
[M+K]+	175.08836	136.3
[M+H-H2O]+	119.12246	126.4
[M+HCOO]-	181.12340	154.9
[M+CH3COO]-	195.13905	174.6
[M+Na-2H]-	157.09987	135.0
[M]+	136.12465	130.4
[M]-	136.12575	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe