CID 156621390

Chebi:180910

Structural Information

Molecular Formula

C₅H₁₂N₃O

SMILES

C1C[C@H]([N+](=C(N)N)C1)O

InChI

InChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4(8)9/h4,9H,1-3H2,(H3,6,7)/p+1/t4-/m1/s1

InChIKey

TYEGCDAQOQXVAF-SCSAIBSYSA-O

Compound name

(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.09804 Da
Monoisotopic Mass: -1.2
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]+	131.10532	123.6
[M+Na]+	153.08726	132.2
[M+NH4]+	148.13186	131.6
[M+K]+	169.06120	131.7
[M-H]-	129.09076	125.3
[M+Na-2H]-	151.07271	127.0
[M]+	130.09749	125.0
[M]-	130.09859	125.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.