CID 23104011

1447606-48-5

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

C1COCCC1N=C(N)N

InChI

InChI=1S/C6H13N3O/c7-6(8)9-5-1-3-10-4-2-5/h5H,1-4H2,(H4,7,8,9)

InChIKey

AERHQVIADZNUCA-UHFFFAOYSA-N

Compound name

2-(oxan-4-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 143.10587 Da
Monoisotopic Mass: -0.9
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]+	144.11315	130.9
[M+Na]+	166.09509	134.5
[M-H]-	142.09859	134.7
[M+NH4]+	161.13969	149.8
[M+K]+	182.06903	135.3
[M+H-H2O]+	126.10313	124.2
[M+HCOO]-	188.10407	153.8
[M+CH3COO]-	202.11972	180.8
[M+Na-2H]-	164.08054	136.5
[M]+	143.10532	123.6
[M]-	143.10642	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe