CID 24826986

Pdm-08

Structural Information

Molecular Formula
C11H14N3O3
SMILES
C1[C@@H](NC(=O)[C@]1(C[N+]2=CC=CC=C2)N)C(=O)O
InChI
InChI=1S/C11H13N3O3/c12-11(7-14-4-2-1-3-5-14)6-8(9(15)16)13-10(11)17/h1-5,8H,6-7,12H2,(H-,13,15,16,17)/p+1/t8-,11+/m1/s1
InChIKey
JRFYJULGAGLHHN-KCJUWKMLSA-O
Compound name
(2R,4S)-4-amino-5-oxo-4-(pyridin-1-ium-1-ylmethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.10352 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11080 151.5
[M+Na]+ 259.09274 158.1
[M-H]- 235.09624 153.0
[M+NH4]+ 254.13734 167.7
[M+K]+ 275.06668 148.9
[M+H-H2O]+ 219.10078 147.2
[M+HCOO]- 281.10172 169.3
[M+CH3COO]- 295.11737 178.3
[M+Na-2H]- 257.07819 156.7
[M]+ 236.10297 145.1
[M]- 236.10407 145.1
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

patents stripe