CID 55289338

(3r,5r)-5-(aminomethyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C5H12N2O
SMILES
C1[C@H](CN[C@@H]1CN)O
InChI
InChI=1S/C5H12N2O/c6-2-4-1-5(8)3-7-4/h4-5,7-8H,1-3,6H2/t4-,5+/m0/s1
InChIKey
VPKJBJVGUAQJOS-CRCLSJGQSA-N
Compound name
(3R,5S)-5-(aminomethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

116.09496 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.102236 124.5
[M+Na]+ 139.084178 130.5
[M-H]- 115.087684 123.3
[M+NH4]+ 134.128783 145.5
[M+K]+ 155.058118 128.5
[M+H-H2O]+ 99.092220 118.8
[M+HCOO]- 161.093161 144.3
[M+CH3COO]- 175.108811 164.8
[M+Na-2H]- 137.069626 128.0
[M]+ 116.09441142 117.4
[M]- 116.09550858 117.4
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

patents stripe