CID 39484

Cyperquat

Structural Information

Molecular Formula
C12H12N
SMILES
C[N+]1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKey
FMGYKKMPNATWHP-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2420
References

15578
Patents

170.09697 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10425 137.0
[M+Na]+ 193.08619 145.4
[M-H]- 169.08969 142.9
[M+NH4]+ 188.13079 155.8
[M+K]+ 209.06013 136.5
[M+H-H2O]+ 153.09423 132.3
[M+HCOO]- 215.09517 160.5
[M+CH3COO]- 229.11082 173.5
[M+Na-2H]- 191.07164 147.7
[M]+ 170.09642 135.1
[M]- 170.09752 135.1
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.