CID 34642

L-cystine, n,n'-diformyl-

Structural Information

Molecular Formula
C8H12N2O6S2
SMILES
C([C@@H](C=O)NC(=O)O)SSC[C@@H](C(=O)O)NC=O
InChI
InChI=1S/C8H12N2O6S2/c11-1-5(10-8(15)16)2-17-18-3-6(7(13)14)9-4-12/h1,4-6,10H,2-3H2,(H,9,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1
InChIKey
XBIPWFIIULKSCD-RITPCOANSA-N
Compound name
(2R)-3-[[(2R)-2-(carboxyamino)-3-oxopropyl]disulfanyl]-2-formamidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.01367 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02095 161.4
[M+Na]+ 319.00289 163.0
[M-H]- 295.00639 157.0
[M+NH4]+ 314.04749 173.5
[M+K]+ 334.97683 159.6
[M+H-H2O]+ 279.01093 154.1
[M+HCOO]- 341.01187 169.4
[M+CH3COO]- 355.02752 198.5
[M+Na-2H]- 316.98834 158.9
[M]+ 296.01312 163.3
[M]- 296.01422 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.