CID 15460346

(2s,3r)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxybutanoic acid

Structural Information

Molecular Formula
C10H19NO5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC
InChI
InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1
InChIKey
VWSUOKFUIPMDDX-RQJHMYQMSA-N
Compound name
(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

233.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 152.9
[M+Na]+ 256.11555 157.3
[M-H]- 232.11905 151.6
[M+NH4]+ 251.16015 169.7
[M+K]+ 272.08949 158.9
[M+H-H2O]+ 216.12359 147.9
[M+HCOO]- 278.12453 171.1
[M+CH3COO]- 292.14018 191.7
[M+Na-2H]- 254.10100 153.7
[M]+ 233.12578 155.5
[M]- 233.12688 155.5
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