CID 31253

Myrcene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC(=CCCC(=C)C=C)C

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3

InChIKey

UAHWPYUMFXYFJY-UHFFFAOYSA-N

Compound name

7-methyl-3-methylideneocta-1,6-diene

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 488
References: 42750
Patents: 136.1252 Da
Monoisotopic Mass: 4.3
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]+	137.132476	132.4
[M+Na]+	159.114418	138.6
[M-H]-	135.117924	132.5
[M+NH4]+	154.159023	154.4
[M+K]+	175.088358	136.6
[M+H-H2O]+	119.122460	128.1
[M+HCOO]-	181.123401	153.6
[M+CH3COO]-	195.139051	177.7
[M+Na-2H]-	157.099866	135.2
[M]+	136.12465142	131.8
[M]-	136.12574858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe