CID 439587

H-pro-pro-pro-oh

Structural Information

Molecular Formula
C15H23N3O4
SMILES
C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)O
InChI
InChI=1S/C15H23N3O4/c19-13(10-4-1-7-16-10)17-8-2-5-11(17)14(20)18-9-3-6-12(18)15(21)22/h10-12,16H,1-9H2,(H,21,22)/t10-,11-,12-/m0/s1
InChIKey
SBVPYBFMIGDIDX-SRVKXCTJSA-N
Compound name
(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25998
Patents

309.16885 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17613 174.2
[M+Na]+ 332.15807 177.4
[M+NH4]+ 327.20267 177.9
[M+K]+ 348.13201 181.6
[M-H]- 308.16157 172.5
[M+Na-2H]- 330.14352 173.3
[M]+ 309.16830 173.1
[M]- 309.16940 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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