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

53
Patents

149.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 127.2
[M+Na]+ 172.07328 133.2
[M-H]- 148.07678 134.2
[M+NH4]+ 167.11788 142.0
[M+K]+ 188.04722 135.7
[M+H-H2O]+ 132.08132 116.7
[M+HCOO]- 194.08226 149.8
[M+CH3COO]- 208.09791 178.6
[M+Na-2H]- 170.05873 136.4
[M]+ 149.08351 133.6
[M]- 149.08461 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