CID 98113

3-methyl-2-phenyloxazolidine

Structural Information

Molecular Formula
C10H13NO
SMILES
CN1CCOC1C2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c1-11-7-8-12-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
KPAIPTSSVAQGOV-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.5
[M+Na]+ 186.08894 140.8
[M-H]- 162.09244 139.3
[M+NH4]+ 181.13354 153.2
[M+K]+ 202.06288 139.9
[M+H-H2O]+ 146.09698 126.7
[M+HCOO]- 208.09792 155.2
[M+CH3COO]- 222.11357 147.3
[M+Na-2H]- 184.07439 139.3
[M]+ 163.09917 132.0
[M]- 163.10027 132.0
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