CID 68578696

Khp dipeptide

Structural Information

Molecular Formula
C11H21N3O4
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C11H21N3O4/c12-4-2-1-3-8(13)10(16)14-6-7(15)5-9(14)11(17)18/h7-9,15H,1-6,12-13H2,(H,17,18)/t7-,8+,9+/m1/s1
InChIKey
BFDLYDRHDPSQHM-VGMNWLOBSA-N
Compound name
(2S,4R)-1-[(2S)-2,6-diaminohexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

259.1532 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 161.3
[M+Na]+ 282.14242 164.3
[M-H]- 258.14592 159.2
[M+NH4]+ 277.18702 175.6
[M+K]+ 298.11636 162.7
[M+H-H2O]+ 242.15046 154.3
[M+HCOO]- 304.15140 177.6
[M+CH3COO]- 318.16705 196.2
[M+Na-2H]- 280.12787 157.1
[M]+ 259.15265 155.9
[M]- 259.15375 155.9
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