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 133.4
[M+Na]+ 177.09983 142.1
[M-H]- 153.10333 132.4
[M+NH4]+ 172.14443 151.6
[M+K]+ 193.07377 138.7
[M+H-H2O]+ 137.10787 121.4
[M+HCOO]- 199.10881 148.4
[M+CH3COO]- 213.12446 184.6
[M+Na-2H]- 175.08528 134.9
[M]+ 154.11006 124.2
[M]- 154.11116 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.