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

8
Patents

219.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.117946 148.7
[M+Na]+ 242.099888 153.7
[M-H]- 218.103394 147.5
[M+NH4]+ 237.144493 166.1
[M+K]+ 258.073828 155.0
[M+H-H2O]+ 202.107930 143.7
[M+HCOO]- 264.108871 168.1
[M+CH3COO]- 278.124521 187.8
[M+Na-2H]- 240.085336 151.2
[M]+ 219.11012142 151.5
[M]- 219.11121858 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