CID 434666

3,4-dimethyl-5-phenyl-1,3-oxazolidine

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1C(OCN1C)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-9-11(13-8-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
POZQVPIDBKNJTK-UHFFFAOYSA-N
Compound name
3,4-dimethyl-5-phenyl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

9
Patents

177.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 137.9
[M+Na]+ 200.104588 145.8
[M-H]- 176.108094 144.0
[M+NH4]+ 195.149193 157.5
[M+K]+ 216.078528 144.6
[M+H-H2O]+ 160.112630 131.3
[M+HCOO]- 222.113571 159.3
[M+CH3COO]- 236.129221 180.4
[M+Na-2H]- 198.090036 142.5
[M]+ 177.11482142 137.2
[M]- 177.11591858 137.2
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