CID 7016082

Ser-gln

Structural Information

Molecular Formula
C8H15N3O5
SMILES
C(CC(=O)N)[C@@H](C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C8H15N3O5/c9-4(3-12)7(14)11-5(8(15)16)1-2-6(10)13/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)/t4-,5-/m0/s1
InChIKey
UJTZHGHXJKIAOS-WHFBIAKZSA-N
Compound name
(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3998
Patents

233.10117 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10845 152.1
[M+Na]+ 256.09039 154.4
[M-H]- 232.09389 148.2
[M+NH4]+ 251.13499 166.1
[M+K]+ 272.06433 154.8
[M+H-H2O]+ 216.09843 145.4
[M+HCOO]- 278.09937 170.6
[M+CH3COO]- 292.11502 194.6
[M+Na-2H]- 254.07584 149.3
[M]+ 233.10062 147.4
[M]- 233.10172 147.4
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