CID 126666329

1402855-09-7

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

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

InChI

InChI=1S/C5H11NO2/c6-4-1-3(7)2-5(4)8/h3-5,7-8H,1-2,6H2/t3-,4-,5-/m1/s1

InChIKey

XQZFLHBAZVWOFL-UOWFLXDJSA-N

Compound name

(1R,3R,4R)-4-aminocyclopentane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 117.07898 Da
Monoisotopic Mass: -1.4
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]+	118.08626	122.7
[M+Na]+	140.06820	129.7
[M-H]-	116.07170	123.4
[M+NH4]+	135.11280	145.3
[M+K]+	156.04214	128.1
[M+H-H2O]+	100.07624	118.4
[M+HCOO]-	162.07718	144.1
[M+CH3COO]-	176.09283	165.4
[M+Na-2H]-	138.05365	125.7
[M]+	117.07843	117.0
[M]-	117.07953	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe