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: 67
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]+	139.11174	141.9
[M+Na]+	161.09368	149.4
[M-H]-	137.09718	149.5
[M+NH4]+	156.13828	155.0
[M+K]+	177.06762	151.3
[M+H-H2O]+	121.10172	138.5
[M+HCOO]-	183.10266	160.4
[M+CH3COO]-	197.11831	188.3
[M+Na-2H]-	159.07913	146.6
[M]+	138.10391	146.3
[M]-	138.10501	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe