CID 57165775

Schembl93925

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

C=C(C1=CCCC1)C(=O)OC2=CCCC2

InChI

InChI=1S/C13H16O2/c1-10(11-6-2-3-7-11)13(14)15-12-8-4-5-9-12/h6,8H,1-5,7,9H2

InChIKey

HHNVJDSLBWUVLK-UHFFFAOYSA-N

Compound name

cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4618
Patents: 204.11504 Da
Monoisotopic Mass: 3.0
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]+	205.122316	150.2
[M+Na]+	227.104258	155.0
[M-H]-	203.107764	156.3
[M+NH4]+	222.148863	172.0
[M+K]+	243.078198	153.1
[M+H-H2O]+	187.112300	144.2
[M+HCOO]-	249.113241	172.3
[M+CH3COO]-	263.128891	183.4
[M+Na-2H]-	225.089706	149.3
[M]+	204.11449142	147.7
[M]-	204.11558858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe