CID 11355674

Tetrahydro-2h-pyran-4-carboxamidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

C1COCCC1C(=N)N

InChI

InChI=1S/C6H12N2O/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H3,7,8)

InChIKey

RLVPQNBFDNJRQS-UHFFFAOYSA-N

Compound name

oxane-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 128.09496 Da
Monoisotopic Mass: -0.5
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]+	129.10224	127.4
[M+Na]+	151.08418	131.2
[M-H]-	127.08768	130.3
[M+NH4]+	146.12878	146.7
[M+K]+	167.05812	131.5
[M+H-H2O]+	111.09222	121.4
[M+HCOO]-	173.09316	148.4
[M+CH3COO]-	187.10881	174.3
[M+Na-2H]-	149.06963	133.3
[M]+	128.09441	120.0
[M]-	128.09551	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe