CID 447989

(2s,5s)-5-carboxymethylproline

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O
InChI
InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
InChIKey
LIZWYFXJOOUDNV-WHFBIAKZSA-N
Compound name
(2S,5S)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

24
Patents

173.0688 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 137.0
[M+Na]+ 196.05802 142.4
[M-H]- 172.06152 134.8
[M+NH4]+ 191.10262 155.1
[M+K]+ 212.03196 140.7
[M+H-H2O]+ 156.06606 131.6
[M+HCOO]- 218.06700 153.3
[M+CH3COO]- 232.08265 170.5
[M+Na-2H]- 194.04347 137.3
[M]+ 173.06825 132.2
[M]- 173.06935 132.2
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