CID 73047398

Dtxsid701243173

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC(=CC=O)CCC1CC1(C)C

InChI

InChI=1S/C11H18O/c1-9(6-7-12)4-5-10-8-11(10,2)3/h6-7,10H,4-5,8H2,1-3H3

InChIKey

XDJUSHOTGROPMD-UHFFFAOYSA-N

Compound name

5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19
Patents: 166.13577 Da
Monoisotopic Mass: 3.4
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]+	167.143046	138.4
[M+Na]+	189.124988	147.5
[M-H]-	165.128494	143.2
[M+NH4]+	184.169593	156.5
[M+K]+	205.098928	145.4
[M+H-H2O]+	149.133030	133.9
[M+HCOO]-	211.133971	160.3
[M+CH3COO]-	225.149621	185.0
[M+Na-2H]-	187.110436	142.9
[M]+	166.13522142	142.8
[M]-	166.13631858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe