CID 165787888

3-[amino(phenyl)methyl]oxetan-3-ol

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1C(CO1)(C(C2=CC=CC=C2)N)O
InChI
InChI=1S/C10H13NO2/c11-9(10(12)6-13-7-10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2
InChIKey
MDKKLRFOOBYPLM-UHFFFAOYSA-N
Compound name
3-[amino(phenyl)methyl]oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.4
[M+Na]+ 202.08386 142.9
[M-H]- 178.08736 143.7
[M+NH4]+ 197.12846 150.9
[M+K]+ 218.05780 145.3
[M+H-H2O]+ 162.09190 127.4
[M+HCOO]- 224.09284 158.2
[M+CH3COO]- 238.10849 182.0
[M+Na-2H]- 200.06931 145.0
[M]+ 179.09409 143.9
[M]- 179.09519 143.9
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.