CID 192763

2280-27-5

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(C)([C@@H](C(=O)O)N)O
InChI
InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
InChIKey
LDRFQSZFVGJGGP-GSVOUGTGSA-N
Compound name
(2S)-2-amino-3-hydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1356
Patents

133.0739 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.6
[M+Na]+ 156.06312 133.7
[M-H]- 132.06662 125.0
[M+NH4]+ 151.10772 147.5
[M+K]+ 172.03706 133.6
[M+H-H2O]+ 116.07116 123.7
[M+HCOO]- 178.07210 146.4
[M+CH3COO]- 192.08775 170.3
[M+Na-2H]- 154.04857 131.4
[M]+ 133.07335 124.6
[M]- 133.07445 124.6
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