CID 89857

Boc-l-methionine

Structural Information

Molecular Formula
C10H19NO4S
SMILES
CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)O
InChI
InChI=1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
IMUSLIHRIYOHEV-ZETCQYMHSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2509
Patents

249.10349 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11077 158.5
[M+Na]+ 272.09271 162.5
[M-H]- 248.09621 156.8
[M+NH4]+ 267.13731 175.0
[M+K]+ 288.06665 161.7
[M+H-H2O]+ 232.10075 152.9
[M+HCOO]- 294.10169 171.7
[M+CH3COO]- 308.11734 192.3
[M+Na-2H]- 270.07816 157.6
[M]+ 249.10294 162.2
[M]- 249.10404 162.2
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