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]+ 155.117886 133.4
[M+Na]+ 177.099828 142.1
[M-H]- 153.103334 132.4
[M+NH4]+ 172.144433 151.6
[M+K]+ 193.073768 138.7
[M+H-H2O]+ 137.107870 121.4
[M+HCOO]- 199.108811 148.4
[M+CH3COO]- 213.124461 184.6
[M+Na-2H]- 175.085276 134.9
[M]+ 154.11006142 124.2
[M]- 154.11115858 124.2
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.