CID 132327750

Rac-(2r,3s)-2-phenyloxetan-3-amine

Structural Information

Molecular Formula
C9H11NO
SMILES
C1[C@H]([C@@H](O1)C2=CC=CC=C2)N
InChI
InChI=1S/C9H11NO/c10-8-6-11-9(8)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
InChIKey
DKGZFLVUJPLCIL-BDAKNGLRSA-N
Compound name
(2S,3R)-2-phenyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 125.7
[M+Na]+ 172.07328 131.7
[M-H]- 148.07678 132.6
[M+NH4]+ 167.11788 138.7
[M+K]+ 188.04722 134.1
[M+H-H2O]+ 132.08132 114.3
[M+HCOO]- 194.08226 148.3
[M+CH3COO]- 208.09791 180.1
[M+Na-2H]- 170.05873 133.3
[M]+ 149.08351 132.2
[M]- 149.08461 132.2
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.