CID 6994036

Z-glu-otbu

Structural Information

Molecular Formula
C17H23NO6
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKey
VJECGKAFPHEJQS-ZDUSSCGKSA-N
Compound name
(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

337.15253 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15981 179.1
[M+Na]+ 360.14175 181.7
[M-H]- 336.14525 180.3
[M+NH4]+ 355.18635 191.1
[M+K]+ 376.11569 181.4
[M+H-H2O]+ 320.14979 172.0
[M+HCOO]- 382.15073 196.9
[M+CH3COO]- 396.16638 208.9
[M+Na-2H]- 358.12720 179.4
[M]+ 337.15198 182.4
[M]- 337.15308 182.4
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