CID 7016076

Ser-asn

Structural Information

Molecular Formula
C7H13N3O5
SMILES
C([C@@H](C(=O)O)NC(=O)[C@H](CO)N)C(=O)N
InChI
InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)/t3-,4-/m0/s1
InChIKey
LTFSLKWFMWZEBD-IMJSIDKUSA-N
Compound name
(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3972
Patents

219.08553 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09281 147.6
[M+Na]+ 242.07475 150.4
[M-H]- 218.07825 143.9
[M+NH4]+ 237.11935 162.2
[M+K]+ 258.04869 151.0
[M+H-H2O]+ 202.08279 141.1
[M+HCOO]- 264.08373 166.5
[M+CH3COO]- 278.09938 191.6
[M+Na-2H]- 240.06020 145.3
[M]+ 219.08498 142.5
[M]- 219.08608 142.5
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