CID 6440866

N-[2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline;iodide

Structural Information

Molecular Formula
C13H15N2O
SMILES
CC1=COC(=[N+]1C)/C=C/NC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12/h3-10H,1-2H3/p+1
InChIKey
LEBCKQFZGWBEOH-UHFFFAOYSA-O
Compound name
N-[(E)-2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

215.11844 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.125716 149.3
[M+Na]+ 238.107658 157.6
[M-H]- 214.111164 156.0
[M+NH4]+ 233.152263 166.8
[M+K]+ 254.081598 149.3
[M+H-H2O]+ 198.115700 144.6
[M+HCOO]- 260.116641 173.7
[M+CH3COO]- 274.132291 182.4
[M+Na-2H]- 236.093106 157.5
[M]+ 215.11789142 149.4
[M]- 215.11898858 149.4
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

patents stripe