CID 45043243

N-benzyloxetan-3-amine

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C(CO1)NCC2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-11-10-7-12-8-10/h1-5,10-11H,6-8H2
InChIKey
DSGHRPVYBGSMIO-UHFFFAOYSA-N
Compound name
N-benzyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 128.8
[M+Na]+ 186.088938 133.4
[M-H]- 162.092444 135.6
[M+NH4]+ 181.133543 141.2
[M+K]+ 202.062878 135.9
[M+H-H2O]+ 146.096980 117.0
[M+HCOO]- 208.097921 151.7
[M+CH3COO]- 222.113571 182.7
[M+Na-2H]- 184.074386 137.7
[M]+ 163.09917142 136.1
[M]- 163.10026858 136.1
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