CID 5003412

1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)C(C(=O)N1CCCC1C(=O)O)N
InChI
InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKey
GIAZPLMMQOERPN-UHFFFAOYSA-N
Compound name
1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

214.13174 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.139016 151.3
[M+Na]+ 237.120958 155.1
[M-H]- 213.124464 151.2
[M+NH4]+ 232.165563 168.7
[M+K]+ 253.094898 154.7
[M+H-H2O]+ 197.129000 145.0
[M+HCOO]- 259.129941 167.9
[M+CH3COO]- 273.145591 188.0
[M+Na-2H]- 235.106406 148.0
[M]+ 214.13119142 146.8
[M]- 214.13228858 146.8
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.