CID 7017894

Boc-met(o2)-oh

Structural Information

Molecular Formula
C10H19NO6S
SMILES
CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O
InChI
InChI=1S/C10H19NO6S/c1-10(2,3)17-9(14)11-7(8(12)13)5-6-18(4,15)16/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
CPGDRHNBSOQFMF-ZETCQYMHSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

281.09332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10060 163.8
[M+Na]+ 304.08254 167.5
[M+NH4]+ 299.12714 166.4
[M+K]+ 320.05648 166.2
[M-H]- 280.08604 157.8
[M+Na-2H]- 302.06799 161.8
[M]+ 281.09277 162.4
[M]- 281.09387 162.4
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

patents stripe