CID 9818200

Val-pro-pro

Structural Information

Molecular Formula
C15H25N3O4
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)N
InChI
InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1
InChIKey
DOFAQXCYFQKSHT-SRVKXCTJSA-N
Compound name
(2S)-1-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

88
References

14790
Patents

311.1845 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19178 176.2
[M+Na]+ 334.17372 177.6
[M-H]- 310.17722 177.8
[M+NH4]+ 329.21832 189.7
[M+K]+ 350.14766 177.0
[M+H-H2O]+ 294.18176 168.9
[M+HCOO]- 356.18270 188.7
[M+CH3COO]- 370.19835 205.5
[M+Na-2H]- 332.15917 167.4
[M]+ 311.18395 170.2
[M]- 311.18505 170.2
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