CID 7018744

Boc-cys(me)-oh

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)OC(=O)N[C@@H](CSC)C(=O)O
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(13)10-6(5-15-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey
WFDQTEFRLDDJAM-LURJTMIESA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

235.08783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 154.0
[M+Na]+ 258.07705 158.5
[M-H]- 234.08055 152.6
[M+NH4]+ 253.12165 171.1
[M+K]+ 274.05099 157.9
[M+H-H2O]+ 218.08509 148.6
[M+HCOO]- 280.08603 167.5
[M+CH3COO]- 294.10168 189.4
[M+Na-2H]- 256.06250 153.6
[M]+ 235.08728 157.3
[M]- 235.08838 157.3
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.