CID 1747749

134354-67-9

Structural Information

Molecular Formula
C8H15NO4
SMILES
C[C@@]1(CCOC[C@@H]1NCC(=O)O)O
InChI
InChI=1S/C8H15NO4/c1-8(12)2-3-13-5-6(8)9-4-7(10)11/h6,9,12H,2-5H2,1H3,(H,10,11)/t6-,8-/m0/s1
InChIKey
CHRXIJXXDQWKCQ-XPUUQOCRSA-N
Compound name
2-[[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10011 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 140.4
[M+Na]+ 212.08933 145.1
[M-H]- 188.09283 141.4
[M+NH4]+ 207.13393 158.7
[M+K]+ 228.06327 145.4
[M+H-H2O]+ 172.09737 135.7
[M+HCOO]- 234.09831 158.0
[M+CH3COO]- 248.11396 178.3
[M+Na-2H]- 210.07478 145.8
[M]+ 189.09956 136.9
[M]- 189.10066 136.9
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

No patent data available for this compound.