CID 118243642

Gehp dipeptide

Structural Information

Molecular Formula
C10H16N2O6
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)CC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C10H16N2O6/c11-6(9(15)16)1-2-8(14)12-4-5(13)3-7(12)10(17)18/h5-7,13H,1-4,11H2,(H,15,16)(H,17,18)/t5-,6+,7+/m1/s1
InChIKey
VKENMLSUUVOQLD-VQVTYTSYSA-N
Compound name
(2S,4R)-1-[(4S)-4-amino-4-carboxybutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.10083 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10811 157.0
[M+Na]+ 283.09005 160.6
[M-H]- 259.09355 154.3
[M+NH4]+ 278.13465 170.9
[M+K]+ 299.06399 159.8
[M+H-H2O]+ 243.09809 150.9
[M+HCOO]- 305.09903 171.3
[M+CH3COO]- 319.11468 190.9
[M+Na-2H]- 281.07550 152.6
[M]+ 260.10028 152.8
[M]- 260.10138 152.8
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