CID 18652471

412352-66-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe