CID 97358944

Rac-[(1r,3s)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCO[C@@H]1C[C@](C1(C)C)(CO)N
InChI
InChI=1S/C9H19NO2/c1-4-12-7-5-9(10,6-11)8(7,2)3/h7,11H,4-6,10H2,1-3H3/t7-,9-/m1/s1
InChIKey
KSRDNDHHDJLQFR-VXNVDRBHSA-N
Compound name
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.6
[M+Na]+ 196.130808 147.8
[M-H]- 172.134314 143.9
[M+NH4]+ 191.175413 158.5
[M+K]+ 212.104748 149.6
[M+H-H2O]+ 156.138850 133.9
[M+HCOO]- 218.139791 161.7
[M+CH3COO]- 232.155441 184.7
[M+Na-2H]- 194.116256 146.1
[M]+ 173.14104142 150.2
[M]- 173.14213858 150.2
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.