CID 46839947

3-(4-chlorophenyl)oxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1C(CO1)(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C9H10ClNO/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4H,5-6,11H2
InChIKey
FQUPJAVDXIORJK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.04509 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 131.2
[M+Na]+ 206.03431 139.1
[M-H]- 182.03781 138.2
[M+NH4]+ 201.07891 145.8
[M+K]+ 222.00825 139.4
[M+H-H2O]+ 166.04235 121.8
[M+HCOO]- 228.04329 149.5
[M+CH3COO]- 242.05894 183.4
[M+Na-2H]- 204.01976 139.4
[M]+ 183.04454 139.9
[M]- 183.04564 139.9
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.