CID 89271673

2247105-99-1

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1[C@@H](C[C@H]([C@@H]1N)O)C#N

InChI

InChI=1S/C6H10N2O/c7-3-4-1-5(8)6(9)2-4/h4-6,9H,1-2,8H2/t4-,5+,6+/m0/s1

InChIKey

IIRDPYYCADCHRS-KVQBGUIXSA-N

Compound name

(1S,3R,4R)-3-amino-4-hydroxycyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 126.079315 Da
Monoisotopic Mass: -1.1
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]+	127.08659	126.9
[M+Na]+	149.06853	135.2
[M+NH4]+	144.11314	131.6
[M+K]+	165.04247	129.4
[M-H]-	125.07204	120.6
[M+Na-2H]-	147.05398	128.0
[M]+	126.07877	125.1
[M]-	126.07986	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe