CID 43781

S-(diisobutylcarbamoyl)cysteine

Structural Information

Molecular Formula
C12H24N2O3S
SMILES
CC(C)CN(CC(C)C)C(=O)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H24N2O3S/c1-8(2)5-14(6-9(3)4)12(17)18-7-10(13)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKey
WLTNFDBTUAMOGX-JTQLQIEISA-N
Compound name
(2R)-2-amino-3-[bis(2-methylpropyl)carbamoylsulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15076 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15804 169.2
[M+Na]+ 299.13998 170.8
[M-H]- 275.14348 167.9
[M+NH4]+ 294.18458 184.3
[M+K]+ 315.11392 170.7
[M+H-H2O]+ 259.14802 162.3
[M+HCOO]- 321.14896 181.6
[M+CH3COO]- 335.16461 206.4
[M+Na-2H]- 297.12543 162.8
[M]+ 276.15021 170.9
[M]- 276.15131 170.9
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.