CID 15891185

284684-20-4

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=O)[C@]1(CCCC[C@H]1N)O
InChI
InChI=1S/C8H15NO3/c1-12-7(10)8(11)5-3-2-4-6(8)9/h6,11H,2-5,9H2,1H3/t6-,8-/m1/s1
InChIKey
NHVXCIGJXDKILT-HTRCEHHLSA-N
Compound name
methyl (1R,2R)-2-amino-1-hydroxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.6
[M+Na]+ 196.09442 142.9
[M-H]- 172.09792 139.0
[M+NH4]+ 191.13902 158.5
[M+K]+ 212.06836 142.3
[M+H-H2O]+ 156.10246 133.1
[M+HCOO]- 218.10340 156.8
[M+CH3COO]- 232.11905 177.2
[M+Na-2H]- 194.07987 141.4
[M]+ 173.10465 132.8
[M]- 173.10575 132.8
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.