CID 13291666

Bis(1-methylcyclopropyl)methanone

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC1(CC1)C(=O)C2(CC2)C

InChI

InChI=1S/C9H14O/c1-8(3-4-8)7(10)9(2)5-6-9/h3-6H2,1-2H3

InChIKey

HYZGPGPQOVDABV-UHFFFAOYSA-N

Compound name

bis(1-methylcyclopropyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 138.10446 Da
Monoisotopic Mass: 1.6
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]+	139.111736	141.9
[M+Na]+	161.093678	149.4
[M-H]-	137.097184	149.5
[M+NH4]+	156.138283	155.0
[M+K]+	177.067618	151.3
[M+H-H2O]+	121.101720	138.5
[M+HCOO]-	183.102661	160.4
[M+CH3COO]-	197.118311	188.3
[M+Na-2H]-	159.079126	146.6
[M]+	138.10391142	146.3
[M]-	138.10500858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe