CID 7010573

H-glu(otbu)-oh

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKey
OIOAKXPMBIZAHL-LURJTMIESA-N
Compound name
(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1609
Patents

203.11575 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.3
[M+Na]+ 226.10497 152.0
[M+NH4]+ 221.14957 150.7
[M+K]+ 242.07891 151.0
[M-H]- 202.10847 142.4
[M+Na-2H]- 224.09042 146.0
[M]+ 203.11520 145.4
[M]- 203.11630 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe