CID 22421116

Cyclopropanepropanal, 1-methyl-

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

CC1(CC1)CCC=O

InChI

InChI=1S/C7H12O/c1-7(4-5-7)3-2-6-8/h6H,2-5H2,1H3

InChIKey

DGFPYIKCOKQJPR-UHFFFAOYSA-N

Compound name

3-(1-methylcyclopropyl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 112.08881 Da
Monoisotopic Mass: 1.5
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]+	113.09609	124.2
[M+Na]+	135.07803	133.9
[M-H]-	111.08153	129.3
[M+NH4]+	130.12263	144.2
[M+K]+	151.05197	133.2
[M+H-H2O]+	95.086070	119.8
[M+HCOO]-	157.08701	148.1
[M+CH3COO]-	171.10266	173.2
[M+Na-2H]-	133.06348	132.4
[M]+	112.08826	128.1
[M]-	112.08936	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe