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]+ 145.097146 129.4
[M+Na]+ 167.079088 136.4
[M-H]- 143.082594 130.0
[M+NH4]+ 162.123693 152.0
[M+K]+ 183.053028 135.6
[M+H-H2O]+ 127.087130 124.6
[M+HCOO]- 189.088071 150.0
[M+CH3COO]- 203.103721 172.0
[M+Na-2H]- 165.064536 133.1
[M]+ 144.08932142 125.1
[M]- 144.09041858 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

literature stripe

Patent stripe

patents stripe