CID 154574723

882506-04-9

Structural Information

Molecular Formula
C15H27NO5
SMILES
CCN([C@@H](C(C)C)C(=O)O)C(=O)[C@@H](C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO5/c1-8-16(11(9(2)3)13(18)19)12(17)10(4)14(20)21-15(5,6)7/h9-11H,8H2,1-7H3,(H,18,19)/t10-,11+/m1/s1
InChIKey
JYNKUWGDDKORHX-MNOVXSKESA-N
Compound name
(2S)-2-[ethyl-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.18893 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19621 170.8
[M+Na]+ 324.17815 173.5
[M-H]- 300.18165 170.5
[M+NH4]+ 319.22275 191.7
[M+K]+ 340.15209 175.9
[M+H-H2O]+ 284.18619 165.7
[M+HCOO]- 346.18713 186.3
[M+CH3COO]- 360.20278 211.0
[M+Na-2H]- 322.16360 166.6
[M]+ 301.18838 174.9
[M]- 301.18948 174.9
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

No patent data available for this compound.