CID 6445988

P-1895

Structural Information

Molecular Formula
C13H14ClNO
SMILES
CC1(COC(=N1)/C=C/C2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C13H14ClNO/c1-13(2)9-16-12(15-13)7-6-10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3/b7-6+
InChIKey
AWAVMTFWHWRMJD-VOTSOKGWSA-N
Compound name
2-[(E)-2-(3-chlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07639 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08367 150.8
[M+Na]+ 258.06561 160.9
[M-H]- 234.06911 157.1
[M+NH4]+ 253.11021 170.9
[M+K]+ 274.03955 156.7
[M+H-H2O]+ 218.07365 144.8
[M+HCOO]- 280.07459 168.5
[M+CH3COO]- 294.09024 187.9
[M+Na-2H]- 256.05106 155.8
[M]+ 235.07584 153.6
[M]- 235.07694 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.