CID 25008296

Alz-801

Structural Information

Molecular Formula
C8H18N2O4S
SMILES
CC(C)[C@@H](C(=O)NCCCS(=O)(=O)O)N
InChI
InChI=1S/C8H18N2O4S/c1-6(2)7(9)8(11)10-4-3-5-15(12,13)14/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,12,13,14)/t7-/m0/s1
InChIKey
NRZRFNYKMSAZBI-ZETCQYMHSA-N
Compound name
3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

181
Patents

238.09872 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10600 152.8
[M+Na]+ 261.08794 156.7
[M-H]- 237.09144 150.6
[M+NH4]+ 256.13254 168.7
[M+K]+ 277.06188 155.2
[M+H-H2O]+ 221.09598 146.8
[M+HCOO]- 283.09692 166.9
[M+CH3COO]- 297.11257 191.6
[M+Na-2H]- 259.07339 152.2
[M]+ 238.09817 153.2
[M]- 238.09927 153.2
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