CID 165687628

2380671-52-1

Structural Information

Molecular Formula
C14H27NO5
SMILES
C[C@@H]([C@H](CC(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C14H27NO5/c1-9(19-13(2,3)4)10(8-11(16)17)15-12(18)20-14(5,6)7/h9-10H,8H2,1-7H3,(H,15,18)(H,16,17)/t9-,10-/m0/s1
InChIKey
WBHDVLYPXNXQAW-UWVGGRQHSA-N
Compound name
(3S,4S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.18893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19621 168.9
[M+Na]+ 312.17815 172.2
[M-H]- 288.18165 167.3
[M+NH4]+ 307.22275 183.7
[M+K]+ 328.15209 173.5
[M+H-H2O]+ 272.18619 164.2
[M+HCOO]- 334.18713 184.3
[M+CH3COO]- 348.20278 203.4
[M+Na-2H]- 310.16360 169.2
[M]+ 289.18838 172.5
[M]- 289.18948 172.5
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.