CID 146050171

2741782-24-9

Structural Information

Molecular Formula
C8H15NO4
SMILES
COC(=O)[C@@H]1C[C@H]([C@H](C[C@@H]1N)O)O
InChI
InChI=1S/C8H15NO4/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h4-7,10-11H,2-3,9H2,1H3/t4-,5+,6-,7+/m1/s1
InChIKey
PVQNBPIHNVOKIE-UCROKIRRSA-N
Compound name
methyl (1R,2S,4S,5R)-2-amino-4,5-dihydroxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10011 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 140.4
[M+Na]+ 212.089328 146.1
[M-H]- 188.092834 140.7
[M+NH4]+ 207.133933 158.4
[M+K]+ 228.063268 145.0
[M+H-H2O]+ 172.097370 135.3
[M+HCOO]- 234.098311 158.3
[M+CH3COO]- 248.113961 180.1
[M+Na-2H]- 210.074776 141.1
[M]+ 189.09956142 135.6
[M]- 189.10065858 135.6
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.