CID 11009794

144005-47-0

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO5/c1-6(12)5-7(8(13)14)11-9(15)16-10(2,3)4/h7H,5H2,1-4H3,(H,11,15)(H,13,14)/t7-/m0/s1
InChIKey
JMUJSOFKNKGLRT-ZETCQYMHSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

231.11067 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 151.2
[M+Na]+ 254.099888 155.9
[M-H]- 230.103394 150.0
[M+NH4]+ 249.144493 168.0
[M+K]+ 270.073828 156.9
[M+H-H2O]+ 214.107930 146.4
[M+HCOO]- 276.108871 169.6
[M+CH3COO]- 290.124521 190.8
[M+Na-2H]- 252.085336 152.1
[M]+ 231.11012142 153.1
[M]- 231.11121858 153.1
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