CID 98710

1569-08-0

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1(COC(=N1)CC2=CC=CC=C2)C
InChI
InChI=1S/C12H15NO/c1-12(2)9-14-11(13-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
GPBCTHQIXXYBHQ-UHFFFAOYSA-N
Compound name
2-benzyl-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

49
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 140.1
[M+Na]+ 212.104588 148.6
[M-H]- 188.108094 146.4
[M+NH4]+ 207.149193 161.0
[M+K]+ 228.078528 147.2
[M+H-H2O]+ 172.112630 133.6
[M+HCOO]- 234.113571 162.7
[M+CH3COO]- 248.129221 181.5
[M+Na-2H]- 210.090036 146.9
[M]+ 189.11482142 141.1
[M]- 189.11591858 141.1
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