CID 40707

53282-47-6

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC(=C1C2C1CCCC2)C

InChI

InChI=1S/C10H16/c1-7(2)10-8-5-3-4-6-9(8)10/h8-9H,3-6H2,1-2H3

InChIKey

UPWUDJZKOSQIRQ-UHFFFAOYSA-N

Compound name

7-propan-2-ylidenebicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	130.4
[M+Na]+	159.114418	138.4
[M-H]-	135.117924	135.4
[M+NH4]+	154.159023	148.6
[M+K]+	175.088358	135.8
[M+H-H2O]+	119.122460	124.9
[M+HCOO]-	181.123401	149.6
[M+CH3COO]-	195.139051	179.5
[M+Na-2H]-	157.099866	135.4
[M]+	136.12465142	129.2
[M]-	136.12574858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe