CID 97358944

En300-28312248

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]+ 174.14887 141.6
[M+Na]+ 196.13081 147.8
[M-H]- 172.13431 143.9
[M+NH4]+ 191.17541 158.5
[M+K]+ 212.10475 149.6
[M+H-H2O]+ 156.13885 133.9
[M+HCOO]- 218.13979 161.7
[M+CH3COO]- 232.15544 184.7
[M+Na-2H]- 194.11626 146.1
[M]+ 173.14104 150.2
[M]- 173.14214 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.