CID 10943251

287945-67-9

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

C1[C@H]([C@H](CC1O)N)N

InChI

InChI=1S/C5H12N2O/c6-4-1-3(8)2-5(4)7/h3-5,8H,1-2,6-7H2/t3?,4-,5+

InChIKey

FMBIQZAABNLKQQ-NVGWPGHNSA-N

Compound name

cis-(3S,4R)-3,4-diaminocyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 116.09496 Da
Monoisotopic Mass: -1.7
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]+	117.102236	122.8
[M+Na]+	139.084178	129.4
[M-H]-	115.087684	124.3
[M+NH4]+	134.128783	145.5
[M+K]+	155.058118	127.8
[M+H-H2O]+	99.092220	117.8
[M+HCOO]-	161.093161	145.8
[M+CH3COO]-	175.108811	170.3
[M+Na-2H]-	137.069626	125.5
[M]+	116.09441142	115.7
[M]-	116.09550858	115.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe