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]+	127.086591	126.4
[M+Na]+	149.068533	135.6
[M-H]-	125.072039	128.3
[M+NH4]+	144.113138	147.1
[M+K]+	165.042473	133.2
[M+H-H2O]+	109.076575	115.1
[M+HCOO]-	171.077516	145.4
[M+CH3COO]-	185.093166	183.6
[M+Na-2H]-	147.053981	129.4
[M]+	126.07876642	117.1
[M]-	126.07986358	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe