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

15
Patents

163.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 131.9
[M+Na]+ 186.08894 137.5
[M-H]- 162.09244 138.7
[M+NH4]+ 181.13354 146.1
[M+K]+ 202.06288 139.7
[M+H-H2O]+ 146.09698 121.2
[M+HCOO]- 208.09792 154.2
[M+CH3COO]- 222.11357 181.6
[M+Na-2H]- 184.07439 140.5
[M]+ 163.09917 138.6
[M]- 163.10027 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