CID 91127

Methyl chrysanthemate

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC(=CC1C(C1(C)C)C(=O)OC)C

InChI

InChI=1S/C11H18O2/c1-7(2)6-8-9(10(12)13-5)11(8,3)4/h6,8-9H,1-5H3

InChIKey

ITNHSNMLIFFVQC-UHFFFAOYSA-N

Compound name

methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 284
Patents: 182.13068 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]+	183.137956	140.0
[M+Na]+	205.119898	149.9
[M-H]-	181.123404	145.3
[M+NH4]+	200.164503	157.9
[M+K]+	221.093838	148.4
[M+H-H2O]+	165.127940	136.0
[M+HCOO]-	227.128881	161.1
[M+CH3COO]-	241.144531	188.2
[M+Na-2H]-	203.105346	142.9
[M]+	182.13013142	145.7
[M]-	182.13122858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe