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

191
Patents

337.15253 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.159806 179.1
[M+Na]+ 360.141748 181.7
[M-H]- 336.145254 180.3
[M+NH4]+ 355.186353 191.1
[M+K]+ 376.115688 181.4
[M+H-H2O]+ 320.149790 172.0
[M+HCOO]- 382.150731 196.9
[M+CH3COO]- 396.166381 208.9
[M+Na-2H]- 358.127196 179.4
[M]+ 337.15198142 182.4
[M]- 337.15307858 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