CID 53877870

L-glutaminyl-l-threonine

Structural Information

Molecular Formula
C9H17N3O5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N)O
InChI
InChI=1S/C9H17N3O5/c1-4(13)7(9(16)17)12-8(15)5(10)2-3-6(11)14/h4-5,7,13H,2-3,10H2,1H3,(H2,11,14)(H,12,15)(H,16,17)/t4-,5+,7+/m1/s1
InChIKey
HHSJMSCOLJVTCX-ZDLURKLDSA-N
Compound name
(2S,3R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1291
Patents

247.11682 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12410 157.2
[M+Na]+ 270.10604 158.9
[M-H]- 246.10954 153.2
[M+NH4]+ 265.15064 170.6
[M+K]+ 286.07998 159.7
[M+H-H2O]+ 230.11408 150.5
[M+HCOO]- 292.11502 174.4
[M+CH3COO]- 306.13067 198.6
[M+Na-2H]- 268.09149 152.6
[M]+ 247.11627 152.2
[M]- 247.11737 152.2
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