CID 51340352

1217827-64-9

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H19NO4/c1-5-7(8(12)13)6-11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
NEIGWFMADWPGEL-ZETCQYMHSA-N
Compound name
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 150.7
[M+Na]+ 240.12063 156.5
[M+NH4]+ 235.16523 155.1
[M+K]+ 256.09457 155.0
[M-H]- 216.12413 146.9
[M+Na-2H]- 238.10608 150.6
[M]+ 217.13086 149.9
[M]- 217.13196 149.9
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