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

14
Patents

149.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 124.0
[M+Na]+ 172.073278 129.1
[M-H]- 148.076784 131.0
[M+NH4]+ 167.117883 137.0
[M+K]+ 188.047218 131.9
[M+H-H2O]+ 132.081320 112.5
[M+HCOO]- 194.082261 147.2
[M+CH3COO]- 208.097911 179.7
[M+Na-2H]- 170.058726 133.5
[M]+ 149.08351142 131.1
[M]- 149.08460858 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

patents stripe