CID 258527

57596-07-3

Structural Information

Molecular Formula
C10H20N2O4S2
SMILES
CC(C)(C(C(=O)O)N)SSC(C)(C)C(C(=O)O)N
InChI
InChI=1S/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)
InChIKey
POYPKGFSZHXASD-UHFFFAOYSA-N
Compound name
2-amino-3-[(1-amino-1-carboxy-2-methylpropan-2-yl)disulfanyl]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

184
Patents

296.08646 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09374 165.6
[M+Na]+ 319.07568 166.8
[M-H]- 295.07918 160.2
[M+NH4]+ 314.12028 177.6
[M+K]+ 335.04962 163.6
[M+H-H2O]+ 279.08372 159.5
[M+HCOO]- 341.08466 168.2
[M+CH3COO]- 355.10031 202.0
[M+Na-2H]- 317.06113 162.1
[M]+ 296.08591 163.9
[M]- 296.08701 163.9
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