CID 55281669

1011478-57-1

Structural Information

Molecular Formula
C6H13NO3
SMILES
CC(C)([C@H](C(=O)OC)N)O
InChI
InChI=1S/C6H13NO3/c1-6(2,9)4(7)5(8)10-3/h4,9H,7H2,1-3H3/t4-/m0/s1
InChIKey
PKZCMYOGIKCTFK-BYPYZUCNSA-N
Compound name
methyl (2R)-2-amino-3-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

147.08954 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 131.6
[M+Na]+ 170.07876 137.9
[M-H]- 146.08226 130.4
[M+NH4]+ 165.12336 151.8
[M+K]+ 186.05270 138.5
[M+H-H2O]+ 130.08680 127.5
[M+HCOO]- 192.08774 151.7
[M+CH3COO]- 206.10339 175.1
[M+Na-2H]- 168.06421 135.5
[M]+ 147.08899 130.9
[M]- 147.09009 130.9
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

patents stripe