CID 578236

Dtxsid00342058

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC(=C1C2C1(CCC2)C)C

InChI

InChI=1S/C10H16/c1-7(2)9-8-5-4-6-10(8,9)3/h8H,4-6H2,1-3H3

InChIKey

CSIZHOMQBOGEAV-UHFFFAOYSA-N

Compound name

1-methyl-6-propan-2-ylidenebicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 136.1252 Da
Monoisotopic Mass: 3.4
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]+	137.132476	131.1
[M+Na]+	159.114418	140.8
[M-H]-	135.117924	136.6
[M+NH4]+	154.159023	152.9
[M+K]+	175.088358	138.4
[M+H-H2O]+	119.122460	127.1
[M+HCOO]-	181.123401	151.7
[M+CH3COO]-	195.139051	178.9
[M+Na-2H]-	157.099866	135.8
[M]+	136.12465142	132.3
[M]-	136.12574858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe