CID 21037721

460720-14-3

Structural Information

Molecular Formula
C15H27NO4
SMILES
CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)O
InChI
InChI=1S/C15H27NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChIKey
SSKKXRIKYHEFTJ-AAEUAGOBSA-N
Compound name
(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

285.194 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 170.0
[M+Na]+ 308.18322 174.9
[M+NH4]+ 303.22782 174.8
[M+K]+ 324.15716 172.0
[M-H]- 284.18672 168.8
[M+Na-2H]- 306.16867 170.1
[M]+ 285.19345 169.6
[M]- 285.19455 169.6
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