CID 11887845

106707-52-2

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c7-4-1-3(2-8)5(9)6(4)10/h3-6,8-10H,1-2,7H2/t3-,4-,5-,6+/m0/s1

InChIKey

FHNKBDPGQXLKRW-OMMKOOBNSA-N

Compound name

(1S,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 147.08954 Da
Monoisotopic Mass: -1.6
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]+	148.096816	130.2
[M+Na]+	170.078758	137.1
[M-H]-	146.082264	129.6
[M+NH4]+	165.123363	151.1
[M+K]+	186.052698	134.9
[M+H-H2O]+	130.086800	125.9
[M+HCOO]-	192.087741	149.9
[M+CH3COO]-	206.103391	169.5
[M+Na-2H]-	168.064206	131.6
[M]+	147.08899142	124.8
[M]-	147.09008858	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe