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

329
Patents

235.08783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.095106 154.0
[M+Na]+ 258.077048 158.5
[M-H]- 234.080554 152.6
[M+NH4]+ 253.121653 171.1
[M+K]+ 274.050988 157.9
[M+H-H2O]+ 218.085090 148.6
[M+HCOO]- 280.086031 167.5
[M+CH3COO]- 294.101681 189.4
[M+Na-2H]- 256.062496 153.6
[M]+ 235.08728142 157.3
[M]- 235.08837858 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

literature stripe

Patent stripe

patents stripe