CID 63623092

N-(2-iodophenyl)oxetan-3-amine

Structural Information

Molecular Formula
C9H10INO
SMILES
C1C(CO1)NC2=CC=CC=C2I
InChI
InChI=1S/C9H10INO/c10-8-3-1-2-4-9(8)11-7-5-12-6-7/h1-4,7,11H,5-6H2
InChIKey
ZFNRSZFMPXGSJN-UHFFFAOYSA-N
Compound name
N-(2-iodophenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98798 142.4
[M+Na]+ 297.96992 141.2
[M-H]- 273.97342 142.3
[M+NH4]+ 293.01452 150.3
[M+K]+ 313.94386 148.9
[M+H-H2O]+ 257.97796 127.4
[M+HCOO]- 319.97890 160.1
[M+CH3COO]- 333.99455 191.8
[M+Na-2H]- 295.95537 138.2
[M]+ 274.98015 146.7
[M]- 274.98125 146.7
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.