CID 10111

Methylguanidine

Structural Information

Molecular Formula

C₂H₇N₃

SMILES

CN=C(N)N

InChI

InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)

InChIKey

CHJJGSNFBQVOTG-UHFFFAOYSA-N

Compound name

2-methylguanidine

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 374
References: 29545
Patents: 73.063995 Da
Monoisotopic Mass: -1.3
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]+	74.071271	111.8
[M+Na]+	96.053213	118.6
[M-H]-	72.056719	113.1
[M+NH4]+	91.097818	135.3
[M+K]+	112.02715	119.4
[M+H-H2O]+	56.061255	106.6
[M+HCOO]-	118.06220	139.3
[M+CH3COO]-	132.07785	170.1
[M+Na-2H]-	94.038661	118.6
[M]+	73.063446	107.5
[M]-	73.064544	107.5

Literature stripe

literature stripe

Patent stripe

patents stripe