CID 11218768

Glu-pro

Structural Information

Molecular Formula
C10H16N2O5
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)O)N)C(=O)O
InChI
InChI=1S/C10H16N2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7H,1-5,11H2,(H,13,14)(H,16,17)/t6-,7-/m0/s1
InChIKey
YBTCBQBIJKGSJP-BQBZGAKWSA-N
Compound name
(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3435
Patents

244.10593 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 155.0
[M+Na]+ 267.09515 158.4
[M-H]- 243.09865 153.4
[M+NH4]+ 262.13975 170.1
[M+K]+ 283.06909 157.7
[M+H-H2O]+ 227.10319 148.6
[M+HCOO]- 289.10413 170.7
[M+CH3COO]- 303.11978 189.3
[M+Na-2H]- 265.08060 151.5
[M]+ 244.10538 150.8
[M]- 244.10648 150.8
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