CID 19456

N-ethyl-n-methylguanidine

Structural Information

Molecular Formula

C₄H₁₁N₃

SMILES

CCN(C)C(=N)N

InChI

InChI=1S/C4H11N3/c1-3-7(2)4(5)6/h3H2,1-2H3,(H3,5,6)

InChIKey

FWGSQBLSFXFROK-UHFFFAOYSA-N

Compound name

1-ethyl-1-methylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 101.0953 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]+	102.10258	121.4
[M+Na]+	124.08452	129.1
[M+NH4]+	119.12912	129.2
[M+K]+	140.05846	125.3
[M-H]-	100.08802	122.5
[M+Na-2H]-	122.06997	125.3
[M]+	101.09475	122.3
[M]-	101.09585	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe