CID 91692564

Dtxsid80880640

Structural Information

Molecular Formula

C₉H₁₆

SMILES

C[C@@H]1CCC[C@H]1CC=C

InChI

InChI=1S/C9H16/c1-3-5-9-7-4-6-8(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1

InChIKey

JUGUHFNYFLSPAJ-RKDXNWHRSA-N

Compound name

cis-(1R,2S)-1-methyl-2-prop-2-enylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.1252 Da
Monoisotopic Mass: 3.8
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]+	125.132476	128.6
[M+Na]+	147.114418	135.1
[M-H]-	123.117924	131.8
[M+NH4]+	142.159023	152.9
[M+K]+	163.088358	133.4
[M+H-H2O]+	107.122460	123.9
[M+HCOO]-	169.123401	151.1
[M+CH3COO]-	183.139051	172.6
[M+Na-2H]-	145.099866	131.9
[M]+	124.12465142	126.0
[M]-	124.12574858	126.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.