CID 62976583

3-amino-1-methylpyrrolidine-3-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CN1CCC(C1)(C(=O)O)N
InChI
InChI=1S/C6H12N2O2/c1-8-3-2-6(7,4-8)5(9)10/h2-4,7H2,1H3,(H,9,10)
InChIKey
XBIAAUWIPXUXDE-UHFFFAOYSA-N
Compound name
3-amino-1-methylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.08987 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 129.4
[M+Na]+ 167.07909 136.4
[M-H]- 143.08259 130.0
[M+NH4]+ 162.12369 152.0
[M+K]+ 183.05303 135.6
[M+H-H2O]+ 127.08713 124.6
[M+HCOO]- 189.08807 150.0
[M+CH3COO]- 203.10372 172.0
[M+Na-2H]- 165.06454 133.1
[M]+ 144.08932 125.1
[M]- 144.09042 125.1
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.