CID 117571629

2803861-51-8

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CNCC1(CCC1)C#N

InChI

InChI=1S/C7H12N2/c1-9-6-7(5-8)3-2-4-7/h9H,2-4,6H2,1H3

InChIKey

XPIZPSAQGIYWJY-UHFFFAOYSA-N

Compound name

1-(methylaminomethyl)cyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 124.10005 Da
Monoisotopic Mass: 0.4
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]+	125.107326	123.2
[M+Na]+	147.089268	130.3
[M-H]-	123.092774	126.9
[M+NH4]+	142.133873	138.9
[M+K]+	163.063208	132.7
[M+H-H2O]+	107.097310	108.2
[M+HCOO]-	169.098251	142.6
[M+CH3COO]-	183.113901	189.9
[M+Na-2H]-	145.074716	130.7
[M]+	124.09950142	124.7
[M]-	124.10059858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe