CID 22859864

2-(hydroxyamino)-3-methylbutanoic acid

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(C)[C@@H](C(=O)O)NO
InChI
InChI=1S/C5H11NO3/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)/t4-/m0/s1
InChIKey
PXEKBQAJOBYINU-BYPYZUCNSA-N
Compound name
(2S)-2-(hydroxyamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

308
Patents

133.0739 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 128.3
[M+Na]+ 156.06312 133.8
[M-H]- 132.06662 126.0
[M+NH4]+ 151.10772 148.3
[M+K]+ 172.03706 134.1
[M+H-H2O]+ 116.07116 123.8
[M+HCOO]- 178.07210 148.3
[M+CH3COO]- 192.08775 171.5
[M+Na-2H]- 154.04857 131.1
[M]+ 133.07335 126.2
[M]- 133.07445 126.2
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