CID 7016354

(2s)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxypropanoic acid

Structural Information

Molecular Formula
C9H17NO5
SMILES
CC(C)(C)OC(=O)N[C@@H](COC)C(=O)O
InChI
InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-14-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey
RFGMSGRWQUMJIR-LURJTMIESA-N
Compound name
(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

955
Patents

219.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11795 148.7
[M+Na]+ 242.09989 153.7
[M-H]- 218.10339 147.5
[M+NH4]+ 237.14449 166.1
[M+K]+ 258.07383 155.0
[M+H-H2O]+ 202.10793 143.7
[M+HCOO]- 264.10887 168.1
[M+CH3COO]- 278.12452 187.8
[M+Na-2H]- 240.08534 151.2
[M]+ 219.11012 151.5
[M]- 219.11122 151.5
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