CID 319258

3-benzyloxazolidine

Structural Information

Molecular Formula
C10H13NO
SMILES
C1COCN1CC2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5H,6-9H2
InChIKey
FQNODHUYZYLTPN-UHFFFAOYSA-N
Compound name
3-benzyl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

163.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.6
[M+Na]+ 186.08894 139.9
[M-H]- 162.09244 139.0
[M+NH4]+ 181.13354 153.0
[M+K]+ 202.06288 139.1
[M+H-H2O]+ 146.09698 126.5
[M+HCOO]- 208.09792 155.3
[M+CH3COO]- 222.11357 147.0
[M+Na-2H]- 184.07439 140.1
[M]+ 163.09917 131.7
[M]- 163.10027 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe