CID 154828524

4-(2-methylcyclopropyl)butanal

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1CC1CCCC=O

InChI

InChI=1S/C8H14O/c1-7-6-8(7)4-2-3-5-9/h5,7-8H,2-4,6H2,1H3

InChIKey

KRWXYIFAXTZWPZ-UHFFFAOYSA-N

Compound name

4-(2-methylcyclopropyl)butanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.10446 Da
Monoisotopic Mass: 1.9
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]+	127.11174	127.3
[M+Na]+	149.09368	136.9
[M-H]-	125.09718	132.2
[M+NH4]+	144.13828	145.1
[M+K]+	165.06762	134.9
[M+H-H2O]+	109.10172	121.8
[M+HCOO]-	171.10266	151.2
[M+CH3COO]-	185.11831	177.5
[M+Na-2H]-	147.07913	133.4
[M]+	126.10391	131.6
[M]-	126.10501	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.