CID 63624742

N-phenyloxetan-3-amine

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(CO1)NC2=CC=CC=C2
InChI
InChI=1S/C9H11NO/c1-2-4-8(5-3-1)10-9-6-11-7-9/h1-5,9-10H,6-7H2
InChIKey
UZBJFLYGMMUGTI-UHFFFAOYSA-N
Compound name
N-phenyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 124.0
[M+Na]+ 172.07328 129.1
[M-H]- 148.07678 131.0
[M+NH4]+ 167.11788 137.0
[M+K]+ 188.04722 131.9
[M+H-H2O]+ 132.08132 112.5
[M+HCOO]- 194.08226 147.2
[M+CH3COO]- 208.09791 179.7
[M+Na-2H]- 170.05873 133.5
[M]+ 149.08351 131.1
[M]- 149.08461 131.1
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.