CID 6852125

Ala-tboda

Structural Information

Molecular Formula
C9H15N3O2
SMILES
C[C@@H](C(=O)C1=NN=C(O1)C(C)(C)C)N
InChI
InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1
InChIKey
PVDZDTVFUVTTDU-YFKPBYRVSA-N
Compound name
(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

197.11642 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 145.2
[M+Na]+ 220.10564 152.9
[M-H]- 196.10914 146.9
[M+NH4]+ 215.15024 162.1
[M+K]+ 236.07958 153.2
[M+H-H2O]+ 180.11368 138.6
[M+HCOO]- 242.11462 164.5
[M+CH3COO]- 256.13027 186.7
[M+Na-2H]- 218.09109 148.9
[M]+ 197.11587 146.4
[M]- 197.11697 146.4
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