CID 82596461

3-benzyloxetan-3-amine

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C(CO1)(CC2=CC=CC=C2)N
InChI
InChI=1S/C10H13NO/c11-10(7-12-8-10)6-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKey
AWABWIXMINBEBT-UHFFFAOYSA-N
Compound name
3-benzyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

163.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 131.9
[M+Na]+ 186.088938 137.5
[M-H]- 162.092444 138.7
[M+NH4]+ 181.133543 146.1
[M+K]+ 202.062878 139.7
[M+H-H2O]+ 146.096980 121.2
[M+HCOO]- 208.097921 154.2
[M+CH3COO]- 222.113571 181.6
[M+Na-2H]- 184.074386 140.5
[M]+ 163.09917142 138.6
[M]- 163.10026858 138.6
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