CID 289239

4,4-dimethyl-2-phenyl-2-oxazoline

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(COC(=N1)C2=CC=CC=C2)C
InChI
InChI=1S/C11H13NO/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
UGNSMKDDFAUGFT-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-phenyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1482
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 135.4
[M+Na]+ 198.08894 144.3
[M-H]- 174.09244 141.9
[M+NH4]+ 193.13354 156.9
[M+K]+ 214.06288 143.2
[M+H-H2O]+ 158.09698 129.1
[M+HCOO]- 220.09792 158.3
[M+CH3COO]- 234.11357 149.9
[M+Na-2H]- 196.07439 142.8
[M]+ 175.09917 136.1
[M]- 175.10027 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

literature stripe

Patent stripe

patents stripe