CID 49866700

5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H14N2O3
SMILES
C[C@@H]1C[C@H](N[C@H]1C(=O)O)N(C)O
InChI
InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1
InChIKey
PGYJBAGGGAUHGV-HSUXUTPPSA-N
Compound name
(2R,3R,5R)-5-[hydroxy(methyl)amino]-3-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10045 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.10773 138.0
[M+Na]+ 197.08967 143.7
[M-H]- 173.09317 137.6
[M+NH4]+ 192.13427 157.0
[M+K]+ 213.06361 143.0
[M+H-H2O]+ 157.09771 132.3
[M+HCOO]- 219.09865 156.5
[M+CH3COO]- 233.11430 178.0
[M+Na-2H]- 195.07512 138.5
[M]+ 174.09990 134.0
[M]- 174.10100 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.