CID 11558265

Ala-pro-pro

Structural Information

Molecular Formula
C13H21N3O4
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)N
InChI
InChI=1S/C13H21N3O4/c1-8(14)11(17)15-6-2-4-9(15)12(18)16-7-3-5-10(16)13(19)20/h8-10H,2-7,14H2,1H3,(H,19,20)/t8-,9-,10-/m0/s1
InChIKey
OLVCTPPSXNRGKV-GUBZILKMSA-N
Compound name
(2S)-1-[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15693
Patents

283.1532 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.160476 167.6
[M+Na]+ 306.142418 170.1
[M-H]- 282.145924 169.4
[M+NH4]+ 301.187023 182.2
[M+K]+ 322.116358 169.3
[M+H-H2O]+ 266.150460 160.3
[M+HCOO]- 328.151401 181.8
[M+CH3COO]- 342.167051 198.6
[M+Na-2H]- 304.127866 160.8
[M]+ 283.15265142 161.4
[M]- 283.15374858 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe