CID 10329481

153580-04-2

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1(CCC=C1C(=O)OC)C

InChI

InChI=1S/C9H14O2/c1-9(2)6-4-5-7(9)8(10)11-3/h5H,4,6H2,1-3H3

InChIKey

TUWXURUKZFEWGX-UHFFFAOYSA-N

Compound name

methyl 5,5-dimethylcyclopentene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.09938 Da
Monoisotopic Mass: 2.4
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]+	155.106656	132.0
[M+Na]+	177.088598	140.3
[M-H]-	153.092104	136.0
[M+NH4]+	172.133203	157.2
[M+K]+	193.062538	139.8
[M+H-H2O]+	137.096640	128.1
[M+HCOO]-	199.097581	155.6
[M+CH3COO]-	213.113231	175.8
[M+Na-2H]-	175.074046	136.4
[M]+	154.09883142	133.3
[M]-	154.09992858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.