CID 53256981

3-phenyloxetan-3-amine

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(CO1)(C2=CC=CC=C2)N
InChI
InChI=1S/C9H11NO/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKey
XISUWHJCLGQGMS-UHFFFAOYSA-N
Compound name
3-phenyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

149.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 127.2
[M+Na]+ 172.073278 133.2
[M-H]- 148.076784 134.2
[M+NH4]+ 167.117883 142.0
[M+K]+ 188.047218 135.7
[M+H-H2O]+ 132.081320 116.7
[M+HCOO]- 194.082261 149.8
[M+CH3COO]- 208.097911 178.6
[M+Na-2H]- 170.058726 136.4
[M]+ 149.08351142 133.6
[M]- 149.08460858 133.6
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