CID 21252274

Gly-pro-hyp

Structural Information

Molecular Formula
C12H19N3O5
SMILES
C1C[C@H](N(C1)C(=O)CN)C(=O)N2CCC([C@H]2C(=O)O)O
InChI
InChI=1S/C12H19N3O5/c13-6-9(17)14-4-1-2-7(14)11(18)15-5-3-8(16)10(15)12(19)20/h7-8,10,16H,1-6,13H2,(H,19,20)/t7-,8?,10-/m0/s1
InChIKey
HVIBGVJOBJJPFB-OFQRNFBNSA-N
Compound name
(2S)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-3-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

728
Patents

285.13248 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 165.4
[M+Na]+ 308.12170 168.8
[M-H]- 284.12520 166.2
[M+NH4]+ 303.16630 179.5
[M+K]+ 324.09564 167.5
[M+H-H2O]+ 268.12974 158.5
[M+HCOO]- 330.13068 179.5
[M+CH3COO]- 344.14633 196.0
[M+Na-2H]- 306.10715 159.3
[M]+ 285.13193 159.5
[M]- 285.13303 159.5
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