CID 2734488

Boc-l-propargylglycine

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC#C)C(=O)O
InChI
InChI=1S/C10H15NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
AMKHAJIFPHJYMH-ZETCQYMHSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

885
Patents

213.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 147.0
[M+Na]+ 236.08933 153.3
[M+NH4]+ 231.13393 148.2
[M+K]+ 252.06327 148.7
[M-H]- 212.09283 135.8
[M+Na-2H]- 234.07478 144.8
[M]+ 213.09956 143.4
[M]- 213.10066 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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