CID 11788566

37005-79-1

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1C=CCC1OCC2=CC=CC=C2

InChI

InChI=1S/C12H14O/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-7,12H,8-10H2

InChIKey

ZLSJNMIPGGUJDC-UHFFFAOYSA-N

Compound name

cyclopent-3-en-1-yloxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 174.10446 Da
Monoisotopic Mass: 2.8
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]+	175.11174	137.6
[M+Na]+	197.09368	144.0
[M-H]-	173.09718	143.9
[M+NH4]+	192.13828	159.2
[M+K]+	213.06762	141.5
[M+H-H2O]+	157.10172	131.1
[M+HCOO]-	219.10266	162.3
[M+CH3COO]-	233.11831	178.5
[M+Na-2H]-	195.07913	143.2
[M]+	174.10391	136.7
[M]-	174.10501	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe