CID 165480395

2839128-82-2

Structural Information

Molecular Formula
C8H14N2O
SMILES
C#CCN1C[C@@H](C[C@@H]1CN)O
InChI
InChI=1S/C8H14N2O/c1-2-3-10-6-8(11)4-7(10)5-9/h1,7-8,11H,3-6,9H2/t7-,8-/m1/s1
InChIKey
JRJLEYZAVRFMFO-HTQZYQBOSA-N
Compound name
(3R,5R)-5-(aminomethyl)-1-prop-2-ynylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 134.4
[M+Na]+ 177.09983 142.8
[M+NH4]+ 172.14443 138.2
[M+K]+ 193.07377 136.7
[M-H]- 153.10333 126.6
[M+Na-2H]- 175.08528 134.4
[M]+ 154.11006 132.2
[M]- 154.11116 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.