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

6
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 128.8
[M+Na]+ 186.08894 133.4
[M-H]- 162.09244 135.6
[M+NH4]+ 181.13354 141.2
[M+K]+ 202.06288 135.9
[M+H-H2O]+ 146.09698 117.0
[M+HCOO]- 208.09792 151.7
[M+CH3COO]- 222.11357 182.7
[M+Na-2H]- 184.07439 137.7
[M]+ 163.09917 136.1
[M]- 163.10027 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