CID 19830271

(cyclobutylmethyl)(methyl)amine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CNCC1CCC1

InChI

InChI=1S/C6H13N/c1-7-5-6-3-2-4-6/h6-7H,2-5H2,1H3

InChIKey

DFDDLFCSYLTQBP-UHFFFAOYSA-N

Compound name

1-cyclobutyl-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 388
Patents: 99.1048 Da
Monoisotopic Mass: 1.1
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]+	100.11208	118.9
[M+Na]+	122.09402	123.7
[M-H]-	98.097524	122.4
[M+NH4]+	117.13862	135.4
[M+K]+	138.06796	126.5
[M+H-H2O]+	82.102060	108.9
[M+HCOO]-	144.10300	142.0
[M+CH3COO]-	158.11865	173.7
[M+Na-2H]-	120.07947	126.1
[M]+	99.104251	125.2
[M]-	99.105349	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe