CID 35456

30758-34-0

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CC1(C(CC1=C)C#N)C

InChI

InChI=1S/C8H11N/c1-6-4-7(5-9)8(6,2)3/h7H,1,4H2,2-3H3

InChIKey

WMRQQFSYNXFYJW-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-methylidenecyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 121.08915 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]+	122.09643	120.0
[M+Na]+	144.07837	129.7
[M-H]-	120.08187	124.7
[M+NH4]+	139.12297	136.9
[M+K]+	160.05231	131.3
[M+H-H2O]+	104.08641	106.5
[M+HCOO]-	166.08735	138.8
[M+CH3COO]-	180.10300	189.5
[M+Na-2H]-	142.06382	126.1
[M]+	121.08860	122.8
[M]-	121.08970	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe