CID 3041213

53644-98-7

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1(COC(=N1)CC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C13H17NO2/c1-13(2)9-16-12(14-13)8-10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey
FCNGYVHWRGIPFH-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.4
[M+Na]+ 242.11515 161.8
[M+NH4]+ 237.15975 158.3
[M+K]+ 258.08909 155.2
[M-H]- 218.11865 153.0
[M+Na-2H]- 240.10060 156.9
[M]+ 219.12538 151.8
[M]- 219.12648 151.8
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