CID 21643856

2044722-51-0

Structural Information

Molecular Formula

C₆H₁₅N₃

SMILES

CC(C)CN(C)C(=N)N

InChI

InChI=1S/C6H15N3/c1-5(2)4-9(3)6(7)8/h5H,4H2,1-3H3,(H3,7,8)

InChIKey

XOTGBMZBAJLJTR-UHFFFAOYSA-N

Compound name

1-methyl-1-(2-methylpropyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 129.1266 Da
Monoisotopic Mass: 0.6
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]+	130.13388	131.7
[M+Na]+	152.11582	136.5
[M-H]-	128.11932	133.1
[M+NH4]+	147.16042	153.2
[M+K]+	168.08976	137.6
[M+H-H2O]+	112.12386	125.9
[M+HCOO]-	174.12480	156.5
[M+CH3COO]-	188.14045	184.8
[M+Na-2H]-	150.10127	134.8
[M]+	129.12605	128.6
[M]-	129.12715	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe